# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks166
_database_code_depnum_ccdc_archive 'CCDC 1470453'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Ag4 Cl4 Fe4 N4 P4, H2 O'
_chemical_formula_sum            'C92 H74 Ag4 Cl4 Fe4 N4 O P4'
_chemical_formula_weight         2172.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2409(3)
_cell_length_b                   15.5678(4)
_cell_length_c                   20.0839(4)
_cell_angle_alpha                75.5490(10)
_cell_angle_beta                 83.8880(10)
_cell_angle_gamma                75.6710(10)
_cell_volume                     4172.84(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9862
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.47

_exptl_crystal_description       bar
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2164
_exptl_absorpt_coefficient_mu    1.848
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_T_max  0.851

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            63467
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         27.50
_reflns_number_total             19179
_reflns_number_gt                14157
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0163P)²+1.1313P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19179
_refine_ls_number_parameters     1018
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0579
_refine_ls_wR_factor_gt          0.0516
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.160218(16) 0.165406(16) 0.322036(11) 0.02270(6) Uani 1 1 d . . .
Cl1 Cl 0.27504(5) 0.24671(5) 0.22951(3) 0.01695(15) Uani 1 1 d . . .
Fe1 Fe -0.10581(3) 0.37494(3) 0.28662(2) 0.01757(10) Uani 1 1 d . . .
P1 P 0.05462(5) 0.23226(5) 0.40419(3) 0.01471(16) Uani 1 1 d . . .
N1 N -0.2751(2) 0.6306(2) 0.24722(15) 0.0490(9) Uani 1 1 d . . .
C101 C -0.1335(2) 0.50051(19) 0.22408(14) 0.0227(7) Uani 1 1 d . . .
C102 C -0.0374(2) 0.4785(2) 0.24878(15) 0.0285(8) Uani 1 1 d . . .
H102 H -0.0136 0.5103 0.2755 0.034 Uiso 1 1 calc R . .
C103 C 0.0145(2) 0.4015(2) 0.22597(15) 0.0292(8) Uani 1 1 d . . .
H103 H 0.0805 0.3724 0.2344 0.035 Uiso 1 1 calc R . .
C104 C -0.0464(2) 0.3736(2) 0.18859(15) 0.0291(8) Uani 1 1 d . . .
H104 H -0.0286 0.3227 0.1680 0.035 Uiso 1 1 calc R . .
C105 C -0.1386(2) 0.4346(2) 0.18707(14) 0.0256(7) Uani 1 1 d . . .
H105 H -0.1937 0.4321 0.1654 0.031 Uiso 1 1 calc R . .
C106 C -0.06661(19) 0.28137(19) 0.37541(13) 0.0160(6) Uani 1 1 d . . .
C107 C -0.1129(2) 0.2451(2) 0.33225(14) 0.0197(7) Uani 1 1 d . . .
H107 H -0.0851 0.1933 0.3139 0.024 Uiso 1 1 calc R . .
C108 C -0.2078(2) 0.3006(2) 0.32195(16) 0.0276(8) Uani 1 1 d . . .
H108 H -0.2549 0.2920 0.2957 0.033 Uiso 1 1 calc R . .
C109 C -0.2205(2) 0.3707(2) 0.35718(15) 0.0274(8) Uani 1 1 d . . .
H109 H -0.2774 0.4175 0.3585 0.033 Uiso 1 1 calc R . .
C110 C -0.1339(2) 0.3594(2) 0.39034(14) 0.0227(7) Uani 1 1 d . . .
H110 H -0.1226 0.3972 0.4177 0.027 Uiso 1 1 calc R . .
C111 C -0.2123(3) 0.5725(2) 0.23725(15) 0.0309(8) Uani 1 1 d . . .
C112 C 0.03706(19) 0.14930(18) 0.48322(13) 0.0140(6) Uani 1 1 d . . .
C113 C -0.0534(2) 0.1379(2) 0.51054(14) 0.0194(7) Uani 1 1 d . . .
H113 H -0.1099 0.1781 0.4901 0.023 Uiso 1 1 calc R . .
C114 C -0.0624(2) 0.0683(2) 0.56757(14) 0.0224(7) Uani 1 1 d . . .
H114 H -0.1249 0.0599 0.5853 0.027 Uiso 1 1 calc R . .
C115 C 0.0190(2) 0.0114(2) 0.59849(15) 0.0244(7) Uani 1 1 d . . .
H115 H 0.0127 -0.0354 0.6382 0.029 Uiso 1 1 calc R . .
C116 C 0.1098(2) 0.0220(2) 0.57210(14) 0.0244(7) Uani 1 1 d . . .
H116 H 0.1660 -0.0170 0.5939 0.029 Uiso 1 1 calc R . .
C117 C 0.1191(2) 0.08928(19) 0.51382(14) 0.0200(7) Uani 1 1 d . . .
H117 H 0.1818 0.0947 0.4945 0.024 Uiso 1 1 calc R . .
C118 C 0.08697(19) 0.32339(19) 0.43270(14) 0.0174(6) Uani 1 1 d . . .
C119 C 0.0662(2) 0.3349(2) 0.50004(15) 0.0240(7) Uani 1 1 d . . .
H119 H 0.0319 0.2962 0.5322 0.029 Uiso 1 1 calc R . .
C120 C 0.0959(2) 0.4031(2) 0.51954(16) 0.0303(8) Uani 1 1 d . . .
H120 H 0.0829 0.4101 0.5655 0.036 Uiso 1 1 calc R . .
C121 C 0.1438(2) 0.4605(2) 0.47333(18) 0.0356(9) Uani 1 1 d . . .
H121 H 0.1641 0.5067 0.4874 0.043 Uiso 1 1 calc R . .
C122 C 0.1627(2) 0.4512(2) 0.40650(17) 0.0321(8) Uani 1 1 d . . .
H122 H 0.1941 0.4922 0.3741 0.039 Uiso 1 1 calc R . .
C123 C 0.1355(2) 0.3815(2) 0.38631(15) 0.0245(7) Uani 1 1 d . . .
H123 H 0.1504 0.3740 0.3406 0.029 Uiso 1 1 calc R . .
Ag2 Ag 0.222746(16) 0.170798(16) 0.136584(11) 0.02278(6) Uani 1 1 d . . .
Cl2 Cl 0.08550(5) 0.12069(5) 0.22288(3) 0.01801(15) Uani 1 1 d . . .
Fe2 Fe 0.39782(3) 0.35079(3) 0.00386(2) 0.01738(10) Uani 1 1 d . . .
P2 P 0.20950(5) 0.24213(5) 0.01735(4) 0.01523(16) Uani 1 1 d . . .
N2 N 0.63886(19) 0.42430(19) -0.10079(13) 0.0323(7) Uani 1 1 d . . .
C201 C 0.54318(19) 0.3356(2) -0.00349(15) 0.0204(7) Uani 1 1 d . . .
C202 C 0.5193(2) 0.2501(2) 0.00188(16) 0.0265(7) Uani 1 1 d . . .
H202 H 0.5354 0.2136 -0.0311 0.032 Uiso 1 1 calc R . .
C203 C 0.4673(2) 0.2301(2) 0.06542(17) 0.0334(9) Uani 1 1 d . . .
H203 H 0.4430 0.1768 0.0830 0.040 Uiso 1 1 calc R . .
C204 C 0.4572(2) 0.3021(2) 0.09867(16) 0.0322(9) Uani 1 1 d . . .
H204 H 0.4242 0.3056 0.1419 0.039 Uiso 1 1 calc R . .
C205 C 0.50420(19) 0.3681(2) 0.05705(14) 0.0238(7) Uani 1 1 d . . .
H205 H 0.5091 0.4232 0.0671 0.029 Uiso 1 1 calc R . .
C206 C 0.26450(19) 0.33759(19) -0.01450(13) 0.0172(6) Uani 1 1 d . . .
C207 C 0.2554(2) 0.4109(2) 0.01872(15) 0.0232(7) Uani 1 1 d . . .
H207 H 0.2226 0.4155 0.0619 0.028 Uiso 1 1 calc R . .
C208 C 0.3037(2) 0.4753(2) -0.02408(16) 0.0282(8) Uani 1 1 d . . .
H208 H 0.3084 0.5309 -0.0146 0.034 Uiso 1 1 calc R . .
C209 C 0.3440(2) 0.4431(2) -0.08327(15) 0.0285(8) Uani 1 1 d . . .
H209 H 0.3809 0.4727 -0.1201 0.034 Uiso 1 1 calc R . .
C210 C 0.31940(19) 0.3590(2) -0.07787(14) 0.0218(7) Uani 1 1 d . . .
H210 H 0.3365 0.3227 -0.1109 0.026 Uiso 1 1 calc R . .
C211 C 0.5954(2) 0.3840(2) -0.05873(16) 0.0226(7) Uani 1 1 d . . .
C212 C 0.08491(19) 0.2900(2) -0.00896(13) 0.0166(6) Uani 1 1 d . . .
C213 C 0.0142(2) 0.2444(2) 0.02279(15) 0.0231(7) Uani 1 1 d . . .
H213 H 0.0310 0.1907 0.0582 0.028 Uiso 1 1 calc R . .
C214 C -0.0809(2) 0.2764(2) 0.00321(16) 0.0332(8) Uani 1 1 d . . .
H214 H -0.1287 0.2440 0.0245 0.040 Uiso 1 1 calc R . .
C215 C -0.1062(2) 0.3551(2) -0.04694(15) 0.0274(8) Uani 1 1 d . . .
H215 H -0.1714 0.3767 -0.0605 0.033 Uiso 1 1 calc R . .
C216 C -0.0377(2) 0.4025(2) -0.07744(15) 0.0303(8) Uani 1 1 d . . .
H216 H -0.0557 0.4576 -0.1113 0.036 Uiso 1 1 calc R . .
C217 C 0.0582(2) 0.3701(2) -0.05891(15) 0.0259(7) Uani 1 1 d . . .
H217 H 0.1056 0.4028 -0.0805 0.031 Uiso 1 1 calc R . .
C218 C 0.26411(19) 0.16648(19) -0.03947(13) 0.0171(6) Uani 1 1 d . . .
C219 C 0.3414(2) 0.0936(2) -0.01681(15) 0.0244(7) Uani 1 1 d . . .
H219 H 0.3620 0.0819 0.0287 0.029 Uiso 1 1 calc R . .
C220 C 0.3882(2) 0.0383(2) -0.06003(16) 0.0310(8) Uani 1 1 d . . .
H220 H 0.4416 -0.0106 -0.0443 0.037 Uiso 1 1 calc R . .
C221 C 0.3581(2) 0.0535(2) -0.12556(15) 0.0306(8) Uani 1 1 d . . .
H221 H 0.3910 0.0155 -0.1552 0.037 Uiso 1 1 calc R . .
C222 C 0.2803(2) 0.1239(2) -0.14826(15) 0.0323(8) Uani 1 1 d . . .
H222 H 0.2584 0.1334 -0.1932 0.039 Uiso 1 1 calc R . .
C223 C 0.2338(2) 0.1807(2) -0.10583(14) 0.0251(7) Uani 1 1 d . . .
H223 H 0.1809 0.2299 -0.1221 0.030 Uiso 1 1 calc R . .
Ag3 Ag 0.229102(16) -0.032631(16) 0.254539(12) 0.02342(6) Uani 1 1 d . . .
Cl3 Cl 0.37339(5) 0.02778(5) 0.17039(3) 0.01900(16) Uani 1 1 d . . .
Fe3 Fe 0.34700(3) -0.31936(3) 0.31878(2) 0.02114(10) Uani 1 1 d . . .
P3 P 0.19972(5) -0.15054(5) 0.20894(4) 0.01684(17) Uani 1 1 d . . .
N3 N 0.5932(2) -0.44953(19) 0.42434(14) 0.0383(7) Uani 1 1 d . . .
C301 C 0.4152(2) -0.3606(2) 0.40858(14) 0.0234(7) Uani 1 1 d . . .
C302 C 0.3349(2) -0.4021(2) 0.41404(15) 0.0291(8) Uani 1 1 d . . .
H302 H 0.3377 -0.4656 0.4238 0.035 Uiso 1 1 calc R . .
C303 C 0.2502(2) -0.3308(2) 0.40220(15) 0.0306(8) Uani 1 1 d . . .
H303 H 0.1858 -0.3381 0.4027 0.037 Uiso 1 1 calc R . .
C304 C 0.2780(2) -0.2469(2) 0.38961(15) 0.0285(8) Uani 1 1 d . . .
H304 H 0.2351 -0.1884 0.3805 0.034 Uiso 1 1 calc R . .
C305 C 0.3794(2) -0.2640(2) 0.39277(14) 0.0252(7) Uani 1 1 d . . .
H305 H 0.4170 -0.2196 0.3857 0.030 Uiso 1 1 calc R . .
C306 C 0.2956(2) -0.2527(2) 0.22395(14) 0.0202(7) Uani 1 1 d . . .
C307 C 0.3959(2) -0.2520(2) 0.22601(14) 0.0269(8) Uani 1 1 d . . .
H307 H 0.4218 -0.1995 0.2182 0.032 Uiso 1 1 calc R . .
C308 C 0.4493(2) -0.3441(2) 0.24175(15) 0.0350(9) Uani 1 1 d . . .
H308 H 0.5176 -0.3637 0.2459 0.042 Uiso 1 1 calc R . .
C309 C 0.3845(2) -0.4011(2) 0.25013(16) 0.0380(10) Uani 1 1 d . . .
H309 H 0.4013 -0.4659 0.2612 0.046 Uiso 1 1 calc R . .
C310 C 0.2892(2) -0.3455(2) 0.23914(15) 0.0280(8) Uani 1 1 d . . .
H310 H 0.2315 -0.3665 0.2415 0.034 Uiso 1 1 calc R . .
C311 C 0.5145(2) -0.4096(2) 0.41625(15) 0.0278(8) Uani 1 1 d . . .
C312 C 0.19262(19) -0.11460(19) 0.11565(14) 0.0177(6) Uani 1 1 d . . .
C313 C 0.2488(2) -0.1631(2) 0.07085(15) 0.0259(7) Uani 1 1 d . . .
H313 H 0.2935 -0.2187 0.0886 0.031 Uiso 1 1 calc R . .
C314 C 0.2409(2) -0.1318(2) 0.00035(15) 0.0319(8) Uani 1 1 d . . .
H314 H 0.2805 -0.1653 -0.0300 0.038 Uiso 1 1 calc R . .
C315 C 0.1755(2) -0.0520(2) -0.02558(16) 0.0304(8) Uani 1 1 d . . .
H315 H 0.1694 -0.0306 -0.0739 0.036 Uiso 1 1 calc R . .
C316 C 0.1187(2) -0.0028(2) 0.01840(16) 0.0326(8) Uani 1 1 d . . .
H316 H 0.0730 0.0520 0.0004 0.039 Uiso 1 1 calc R . .
C317 C 0.1281(2) -0.0330(2) 0.08844(15) 0.0277(8) Uani 1 1 d . . .
H317 H 0.0903 0.0022 0.1185 0.033 Uiso 1 1 calc R . .
C318 C 0.08982(19) -0.19188(19) 0.23550(13) 0.0158(6) Uani 1 1 d . . .
C319 C 0.0587(2) -0.2460(2) 0.20046(14) 0.0217(7) Uani 1 1 d . . .
H319 H 0.0955 -0.2620 0.1613 0.026 Uiso 1 1 calc R . .
C320 C -0.0251(2) -0.2763(2) 0.22219(16) 0.0291(8) Uani 1 1 d . . .
H320 H -0.0452 -0.3136 0.1982 0.035 Uiso 1 1 calc R . .
C321 C -0.0799(2) -0.2526(2) 0.27870(16) 0.0319(8) Uani 1 1 d . . .
H321 H -0.1375 -0.2737 0.2936 0.038 Uiso 1 1 calc R . .
C322 C -0.0509(2) -0.1984(2) 0.31326(15) 0.0302(8) Uani 1 1 d . . .
H322 H -0.0889 -0.1816 0.3518 0.036 Uiso 1 1 calc R . .
C323 C 0.0339(2) -0.1682(2) 0.29201(14) 0.0239(7) Uani 1 1 d . . .
H323 H 0.0537 -0.1311 0.3163 0.029 Uiso 1 1 calc R . .
Ag4 Ag 0.411329(15) 0.098047(16) 0.265611(11) 0.02227(6) Uani 1 1 d . . .
Cl4 Cl 0.28816(5) 0.00879(5) 0.35560(3) 0.01810(15) Uani 1 1 d . . .
Fe4 Fe 0.51827(3) 0.23016(3) 0.40678(2) 0.01634(9) Uani 1 1 d . . .
P4 P 0.56675(5) 0.06310(5) 0.31175(4) 0.01375(16) Uani 1 1 d . . .
N4 N 0.5992(2) 0.4077(2) 0.22720(16) 0.0504(9) Uani 1 1 d . . .
C401 C 0.4984(2) 0.35131(19) 0.33492(15) 0.0214(7) Uani 1 1 d . . .
C402 C 0.4216(2) 0.3075(2) 0.33451(16) 0.0271(8) Uani 1 1 d . . .
H402 H 0.4047 0.2892 0.2965 0.032 Uiso 1 1 calc R . .
C403 C 0.3758(2) 0.2963(2) 0.40020(18) 0.0348(9) Uani 1 1 d . . .
H403 H 0.3219 0.2691 0.4145 0.042 Uiso 1 1 calc R . .
C404 C 0.4230(2) 0.3323(2) 0.44195(18) 0.0343(8) Uani 1 1 d . . .
H404 H 0.4059 0.3336 0.4888 0.041 Uiso 1 1 calc R . .
C405 C 0.4992(2) 0.3657(2) 0.40252(16) 0.0268(7) Uani 1 1 d . . .
H405 H 0.5432 0.3928 0.4178 0.032 Uiso 1 1 calc R . .
C406 C 0.57811(18) 0.10530(18) 0.38587(13) 0.0126(6) Uani 1 1 d . . .
C407 C 0.5146(2) 0.09773(18) 0.44649(14) 0.0190(7) Uani 1 1 d . . .
H407 H 0.4580 0.0741 0.4530 0.023 Uiso 1 1 calc R . .
C408 C 0.5516(2) 0.1317(2) 0.49470(14) 0.0247(7) Uani 1 1 d . . .
H408 H 0.5241 0.1342 0.5396 0.030 Uiso 1 1 calc R . .
C409 C 0.6360(2) 0.1612(2) 0.46523(14) 0.0218(7) Uani 1 1 d . . .
H409 H 0.6750 0.1870 0.4867 0.026 Uiso 1 1 calc R . .
C410 C 0.65231(19) 0.14575(18) 0.39780(14) 0.0169(6) Uani 1 1 d . . .
H410 H 0.7038 0.1599 0.3661 0.020 Uiso 1 1 calc R . .
C411 C 0.5563(2) 0.3816(2) 0.27607(17) 0.0300(8) Uani 1 1 d . . .
C412 C 0.60806(19) -0.05974(19) 0.34322(14) 0.0159(6) Uani 1 1 d . . .
C413 C 0.67000(19) -0.0981(2) 0.39765(14) 0.0197(7) Uani 1 1 d . . .
H413 H 0.6886 -0.0600 0.4217 0.024 Uiso 1 1 calc R . .
C414 C 0.7043(2) -0.1917(2) 0.41647(15) 0.0242(7) Uani 1 1 d . . .
H414 H 0.7470 -0.2174 0.4533 0.029 Uiso 1 1 calc R . .
C415 C 0.6774(2) -0.2480(2) 0.38243(16) 0.0264(7) Uani 1 1 d . . .
H415 H 0.7020 -0.3121 0.3954 0.032 Uiso 1 1 calc R . .
C416 C 0.6142(2) -0.2106(2) 0.32917(16) 0.0284(8) Uani 1 1 d . . .
H416 H 0.5950 -0.2490 0.3058 0.034 Uiso 1 1 calc R . .
C417 C 0.5792(2) -0.1169(2) 0.31014(14) 0.0212(7) Uani 1 1 d . . .
H417 H 0.5351 -0.0915 0.2742 0.025 Uiso 1 1 calc R . .
C418 C 0.66800(19) 0.0962(2) 0.25578(13) 0.0162(6) Uani 1 1 d . . .
C419 C 0.6517(2) 0.1809(2) 0.21080(14) 0.0235(7) Uani 1 1 d . . .
H419 H 0.5875 0.2173 0.2057 0.028 Uiso 1 1 calc R . .
C420 C 0.7280(2) 0.2133(2) 0.17307(15) 0.0322(8) Uani 1 1 d . . .
H420 H 0.7161 0.2722 0.1430 0.039 Uiso 1 1 calc R . .
C421 C 0.8214(2) 0.1601(2) 0.17894(16) 0.0338(8) Uani 1 1 d . . .
H421 H 0.8739 0.1825 0.1533 0.041 Uiso 1 1 calc R . .
C422 C 0.8381(2) 0.0744(2) 0.22215(15) 0.0311(8) Uani 1 1 d . . .
H422 H 0.9021 0.0373 0.2257 0.037 Uiso 1 1 calc R . .
C423 C 0.7624(2) 0.0423(2) 0.26021(14) 0.0224(7) Uani 1 1 d . . .
H423 H 0.7745 -0.0169 0.2897 0.027 Uiso 1 1 calc R . .
O1W O 0.2328(2) 0.47349(19) 0.20454(15) 0.0755(9) Uani 1 1 d . . .
H1W H 0.2580 0.4100 0.2170 0.091 Uiso 1 1 d R . .
H2W H 0.2969 0.4843 0.1798 0.091 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3709(7) . ?
Ag1 Cl1 2.6330(7) . ?
Ag1 Cl4 2.6385(7) . ?
Ag1 Cl2 2.6633(7) . ?
Cl1 Ag4 2.6245(7) . ?
Cl1 Ag2 2.6957(7) . ?
Fe1 C101 2.013(3) . ?
Fe1 C107 2.023(3) . ?
Fe1 C106 2.031(3) . ?
Fe1 C105 2.033(3) . ?
Fe1 C102 2.034(3) . ?
Fe1 C108 2.038(3) . ?
Fe1 C110 2.044(3) . ?
Fe1 C109 2.048(3) . ?
Fe1 C103 2.060(3) . ?
Fe1 C104 2.062(3) . ?
P1 C106 1.799(3) . ?
P1 C112 1.817(3) . ?
P1 C118 1.827(3) . ?
N1 C111 1.144(4) . ?
C101 C105 1.429(4) . ?
C101 C111 1.431(4) . ?
C101 C102 1.437(4) . ?
C102 C103 1.400(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.411(4) . ?
C103 H103 0.9500 . ?
C104 C105 1.416(4) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C110 1.424(4) . ?
C106 C107 1.434(4) . ?
C107 C108 1.416(4) . ?
C107 H107 0.9500 . ?
C108 C109 1.408(4) . ?
C108 H108 0.9500 . ?
C109 C110 1.416(4) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C113 1.380(4) . ?
C112 C117 1.394(4) . ?
C113 C114 1.386(4) . ?
C113 H113 0.9500 . ?
C114 C115 1.373(4) . ?
C114 H114 0.9500 . ?
C115 C116 1.376(4) . ?
C115 H115 0.9500 . ?
C116 C117 1.382(4) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.384(4) . ?
C118 C119 1.400(4) . ?
C119 C120 1.388(4) . ?
C119 H119 0.9500 . ?
C120 C121 1.370(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.377(4) . ?
C121 H121 0.9500 . ?
C122 C123 1.397(4) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Ag2 P2 2.3809(7) . ?
Ag2 Cl2 2.6060(7) . ?
Ag2 Cl3 2.6856(7) . ?
Cl2 Ag3 2.7179(7) . ?
Fe2 C201 2.018(3) . ?
Fe2 C202 2.032(3) . ?
Fe2 C207 2.038(3) . ?
Fe2 C206 2.040(3) . ?
Fe2 C210 2.043(3) . ?
Fe2 C208 2.049(3) . ?
Fe2 C205 2.049(3) . ?
Fe2 C209 2.049(3) . ?
Fe2 C203 2.054(3) . ?
Fe2 C204 2.054(3) . ?
P2 C206 1.796(3) . ?
P2 C218 1.823(3) . ?
P2 C212 1.825(3) . ?
N2 C211 1.143(4) . ?
C201 C211 1.427(4) . ?
C201 C202 1.430(4) . ?
C201 C205 1.438(4) . ?
C202 C203 1.410(4) . ?
C202 H202 0.9500 . ?
C203 C204 1.413(5) . ?
C203 H203 0.9500 . ?
C204 C205 1.412(4) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C210 1.431(4) . ?
C206 C207 1.433(4) . ?
C207 C208 1.415(4) . ?
C207 H207 0.9500 . ?
C208 C209 1.415(4) . ?
C208 H208 0.9500 . ?
C209 C210 1.412(4) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C213 1.384(4) . ?
C212 C217 1.388(4) . ?
C213 C214 1.385(4) . ?
C213 H213 0.9500 . ?
C214 C215 1.374(4) . ?
C214 H214 0.9500 . ?
C215 C216 1.369(4) . ?
C215 H215 0.9500 . ?
C216 C217 1.389(4) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.391(4) . ?
C218 C223 1.392(3) . ?
C219 C220 1.380(4) . ?
C219 H219 0.9500 . ?
C220 C221 1.373(4) . ?
C220 H220 0.9500 . ?
C221 C222 1.376(4) . ?
C221 H221 0.9500 . ?
C222 C223 1.384(4) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
Ag3 P3 2.3841(8) . ?
Ag3 Cl4 2.5550(7) . ?
Ag3 Cl3 2.7178(8) . ?
Cl3 Ag4 2.5889(7) . ?
Fe3 C301 2.024(3) . ?
Fe3 C305 2.036(3) . ?
Fe3 C302 2.040(3) . ?
Fe3 C307 2.041(3) . ?
Fe3 C310 2.043(3) . ?
Fe3 C306 2.043(3) . ?
Fe3 C309 2.047(3) . ?
Fe3 C308 2.051(3) . ?
Fe3 C304 2.053(3) . ?
Fe3 C303 2.054(3) . ?
P3 C306 1.806(3) . ?
P3 C318 1.816(3) . ?
P3 C312 1.823(3) . ?
N3 C311 1.146(4) . ?
C301 C305 1.428(4) . ?
C301 C302 1.429(4) . ?
C301 C311 1.434(4) . ?
C302 C303 1.419(4) . ?
C302 H302 0.9500 . ?
C303 C304 1.411(4) . ?
C303 H303 0.9500 . ?
C304 C305 1.408(4) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 C310 1.423(4) . ?
C306 C307 1.435(4) . ?
C307 C308 1.421(4) . ?
C307 H307 0.9500 . ?
C308 C309 1.403(5) . ?
C308 H308 0.9500 . ?
C309 C310 1.424(4) . ?
C309 H309 0.9500 . ?
C310 H310 0.9500 . ?
C312 C313 1.381(4) . ?
C312 C317 1.393(4) . ?
C313 C314 1.385(4) . ?
C313 H313 0.9500 . ?
C314 C315 1.375(4) . ?
C314 H314 0.9500 . ?
C315 C316 1.378(4) . ?
C315 H315 0.9500 . ?
C316 C317 1.377(4) . ?
C316 H316 0.9500 . ?
C317 H317 0.9500 . ?
C318 C323 1.389(4) . ?
C318 C319 1.396(4) . ?
C319 C320 1.379(4) . ?
C319 H319 0.9500 . ?
C320 C321 1.383(4) . ?
C320 H320 0.9500 . ?
C321 C322 1.374(4) . ?
C321 H321 0.9500 . ?
C322 C323 1.390(4) . ?
C322 H322 0.9500 . ?
C323 H323 0.9500 . ?
Ag4 P4 2.3754(7) . ?
Ag4 Cl4 2.7481(7) . ?
Fe4 C407 2.028(3) . ?
Fe4 C403 2.037(3) . ?
Fe4 C404 2.039(3) . ?
Fe4 C408 2.040(3) . ?
Fe4 C405 2.040(3) . ?
Fe4 C402 2.046(3) . ?
Fe4 C401 2.046(3) . ?
Fe4 C406 2.047(3) . ?
Fe4 C410 2.051(3) . ?
Fe4 C409 2.059(3) . ?
P4 C406 1.807(3) . ?
P4 C412 1.822(3) . ?
P4 C418 1.828(3) . ?
N4 C411 1.140(4) . ?
C401 C411 1.416(4) . ?
C401 C402 1.427(4) . ?
C401 C405 1.431(4) . ?
C402 C403 1.398(4) . ?
C402 H402 0.9500 . ?
C403 C404 1.419(4) . ?
C403 H403 0.9500 . ?
C404 C405 1.401(4) . ?
C404 H404 0.9500 . ?
C405 H405 0.9500 . ?
C406 C410 1.424(4) . ?
C406 C407 1.435(4) . ?
C407 C408 1.412(4) . ?
C407 H407 0.9500 . ?
C408 C409 1.413(4) . ?
C408 H408 0.9500 . ?
C409 C410 1.419(4) . ?
C409 H409 0.9500 . ?
C410 H410 0.9500 . ?
C412 C417 1.392(4) . ?
C412 C413 1.396(4) . ?
C413 C414 1.384(4) . ?
C413 H413 0.9500 . ?
C414 C415 1.381(4) . ?
C414 H414 0.9500 . ?
C415 C416 1.389(4) . ?
C415 H415 0.9500 . ?
C416 C417 1.387(4) . ?
C416 H416 0.9500 . ?
C417 H417 0.9500 . ?
C418 C419 1.381(4) . ?
C418 C423 1.396(4) . ?
C419 C420 1.383(4) . ?
C419 H419 0.9500 . ?
C420 C421 1.382(4) . ?
C420 H420 0.9500 . ?
C421 C422 1.378(4) . ?
C421 H421 0.9500 . ?
C422 C423 1.377(4) . ?
C422 H422 0.9500 . ?
C423 H423 0.9500 . ?
O1W H1W 0.9420 . ?
O1W H2W 1.0219 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Cl1 125.60(3) . . ?
P1 Ag1 Cl4 122.98(2) . . ?
Cl1 Ag1 Cl4 95.58(2) . . ?
P1 Ag1 Cl2 119.38(2) . . ?
Cl1 Ag1 Cl2 89.82(2) . . ?
Cl4 Ag1 Cl2 95.09(2) . . ?
Ag4 Cl1 Ag1 86.79(2) . . ?
Ag4 Cl1 Ag2 88.25(2) . . ?
Ag1 Cl1 Ag2 88.58(2) . . ?
C101 Fe1 C107 161.34(11) . . ?
C101 Fe1 C106 155.39(11) . . ?
C107 Fe1 C106 41.41(10) . . ?
C101 Fe1 C105 41.34(11) . . ?
C107 Fe1 C105 123.24(12) . . ?
C106 Fe1 C105 162.95(12) . . ?
C101 Fe1 C102 41.58(11) . . ?
C107 Fe1 C102 154.95(11) . . ?
C106 Fe1 C102 121.45(11) . . ?
C105 Fe1 C102 69.48(12) . . ?
C101 Fe1 C108 124.05(12) . . ?
C107 Fe1 C108 40.83(11) . . ?
C106 Fe1 C108 68.80(11) . . ?
C105 Fe1 C108 103.96(12) . . ?
C102 Fe1 C108 163.92(12) . . ?
C101 Fe1 C110 119.78(12) . . ?
C107 Fe1 C110 69.06(12) . . ?
C106 Fe1 C110 40.90(11) . . ?
C105 Fe1 C110 152.38(12) . . ?
C102 Fe1 C110 110.39(13) . . ?
C108 Fe1 C110 68.26(12) . . ?
C101 Fe1 C109 106.62(12) . . ?
C107 Fe1 C109 68.58(12) . . ?
C106 Fe1 C109 68.55(11) . . ?
C105 Fe1 C109 116.57(12) . . ?
C102 Fe1 C109 128.30(13) . . ?
C108 Fe1 C109 40.33(12) . . ?
C110 Fe1 C109 40.50(11) . . ?
C101 Fe1 C103 68.08(12) . . ?
C107 Fe1 C103 120.30(12) . . ?
C106 Fe1 C103 110.97(11) . . ?
C105 Fe1 C103 67.95(12) . . ?
C102 Fe1 C103 39.98(12) . . ?
C108 Fe1 C103 152.56(13) . . ?
C110 Fe1 C103 130.69(12) . . ?
C109 Fe1 C103 166.96(13) . . ?
C101 Fe1 C104 68.45(12) . . ?
C107 Fe1 C104 106.40(12) . . ?
C106 Fe1 C104 127.77(11) . . ?
C105 Fe1 C104 40.44(11) . . ?
C102 Fe1 C104 68.18(13) . . ?
C108 Fe1 C104 116.93(13) . . ?
C110 Fe1 C104 166.89(11) . . ?
C109 Fe1 C104 150.69(12) . . ?
C103 Fe1 C104 40.04(12) . . ?
C106 P1 C112 103.36(12) . . ?
C106 P1 C118 103.90(12) . . ?
C112 P1 C118 104.55(12) . . ?
C106 P1 Ag1 112.94(9) . . ?
C112 P1 Ag1 112.51(9) . . ?
C118 P1 Ag1 118.12(10) . . ?
C105 C101 C111 125.6(3) . . ?
C105 C101 C102 108.0(3) . . ?
C111 C101 C102 126.3(3) . . ?
C105 C101 Fe1 70.09(16) . . ?
C111 C101 Fe1 122.9(2) . . ?
C102 C101 Fe1 69.97(16) . . ?
C103 C102 C101 107.0(3) . . ?
C103 C102 Fe1 71.03(18) . . ?
C101 C102 Fe1 68.45(17) . . ?
C103 C102 H102 126.5 . . ?
C101 C102 H102 126.5 . . ?
Fe1 C102 H102 125.6 . . ?
C102 C103 C104 109.5(3) . . ?
C102 C103 Fe1 68.99(18) . . ?
C104 C103 Fe1 70.04(18) . . ?
C102 C103 H103 125.2 . . ?
C104 C103 H103 125.2 . . ?
Fe1 C103 H103 127.3 . . ?
C103 C104 C105 108.1(3) . . ?
C103 C104 Fe1 69.92(17) . . ?
C105 C104 Fe1 68.70(17) . . ?
C103 C104 H104 126.0 . . ?
C105 C104 H104 126.0 . . ?
Fe1 C104 H104 127.0 . . ?
C104 C105 C101 107.4(3) . . ?
C104 C105 Fe1 70.85(16) . . ?
C101 C105 Fe1 68.57(16) . . ?
C104 C105 H105 126.3 . . ?
C101 C105 H105 126.3 . . ?
Fe1 C105 H105 125.8 . . ?
C110 C106 C107 107.6(2) . . ?
C110 C106 P1 128.5(2) . . ?
C107 C106 P1 123.9(2) . . ?
C110 C106 Fe1 70.01(15) . . ?
C107 C106 Fe1 68.97(15) . . ?
P1 C106 Fe1 126.85(15) . . ?
C108 C107 C106 107.5(3) . . ?
C108 C107 Fe1 70.17(17) . . ?
C106 C107 Fe1 69.61(16) . . ?
C108 C107 H107 126.2 . . ?
C106 C107 H107 126.2 . . ?
Fe1 C107 H107 125.6 . . ?
C109 C108 C107 108.6(3) . . ?
C109 C108 Fe1 70.21(18) . . ?
C107 C108 Fe1 69.01(17) . . ?
C109 C108 H108 125.7 . . ?
C107 C108 H108 125.7 . . ?
Fe1 C108 H108 126.6 . . ?
C108 C109 C110 108.4(3) . . ?
C108 C109 Fe1 69.47(17) . . ?
C110 C109 Fe1 69.59(17) . . ?
C108 C109 H109 125.8 . . ?
C110 C109 H109 125.8 . . ?
Fe1 C109 H109 126.7 . . ?
C109 C110 C106 108.0(3) . . ?
C109 C110 Fe1 69.91(17) . . ?
C106 C110 Fe1 69.09(15) . . ?
C109 C110 H110 126.0 . . ?
C106 C110 H110 126.0 . . ?
Fe1 C110 H110 126.6 . . ?
N1 C111 C101 179.4(4) . . ?
C113 C112 C117 118.8(3) . . ?
C113 C112 P1 123.0(2) . . ?
C117 C112 P1 118.0(2) . . ?
C112 C113 C114 120.6(3) . . ?
C112 C113 H113 119.7 . . ?
C114 C113 H113 119.7 . . ?
C115 C114 C113 119.9(3) . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C115 C116 120.2(3) . . ?
C114 C115 H115 119.9 . . ?
C116 C115 H115 119.9 . . ?
C115 C116 C117 120.0(3) . . ?
C115 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 C112 120.4(3) . . ?
C116 C117 H117 119.8 . . ?
C112 C117 H117 119.8 . . ?
C123 C118 C119 119.2(3) . . ?
C123 C118 P1 118.6(2) . . ?
C119 C118 P1 122.2(2) . . ?
C120 C119 C118 119.6(3) . . ?
C120 C119 H119 120.2 . . ?
C118 C119 H119 120.2 . . ?
C121 C120 C119 120.8(3) . . ?
C121 C120 H120 119.6 . . ?
C119 C120 H120 119.6 . . ?
C120 C121 C122 120.1(3) . . ?
C120 C121 H121 120.0 . . ?
C122 C121 H121 120.0 . . ?
C121 C122 C123 120.0(3) . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C118 C123 C122 120.3(3) . . ?
C118 C123 H123 119.9 . . ?
C122 C123 H123 119.9 . . ?
P2 Ag2 Cl2 127.05(2) . . ?
P2 Ag2 Cl3 116.49(2) . . ?
Cl2 Ag2 Cl3 102.02(2) . . ?
P2 Ag2 Cl1 123.74(3) . . ?
Cl2 Ag2 Cl1 89.69(2) . . ?
Cl3 Ag2 Cl1 89.26(2) . . ?
Ag2 Cl2 Ag1 89.85(2) . . ?
Ag2 Cl2 Ag3 80.37(2) . . ?
Ag1 Cl2 Ag3 82.580(18) . . ?
C201 Fe2 C202 41.35(12) . . ?
C201 Fe2 C207 158.32(12) . . ?
C202 Fe2 C207 158.98(13) . . ?
C201 Fe2 C206 158.97(11) . . ?
C202 Fe2 C206 122.26(12) . . ?
C207 Fe2 C206 41.15(11) . . ?
C201 Fe2 C210 122.60(11) . . ?
C202 Fe2 C210 107.33(12) . . ?
C207 Fe2 C210 68.61(11) . . ?
C206 Fe2 C210 41.03(10) . . ?
C201 Fe2 C208 122.45(12) . . ?
C202 Fe2 C208 158.85(13) . . ?
C207 Fe2 C208 40.53(12) . . ?
C206 Fe2 C208 68.59(12) . . ?
C210 Fe2 C208 67.87(12) . . ?
C201 Fe2 C205 41.39(11) . . ?
C202 Fe2 C205 69.56(12) . . ?
C207 Fe2 C205 121.79(12) . . ?
C206 Fe2 C205 158.28(11) . . ?
C210 Fe2 C205 158.90(12) . . ?
C208 Fe2 C205 107.09(12) . . ?
C201 Fe2 C209 107.03(12) . . ?
C202 Fe2 C209 122.64(13) . . ?
C207 Fe2 C209 68.49(12) . . ?
C206 Fe2 C209 68.81(12) . . ?
C210 Fe2 C209 40.37(11) . . ?
C208 Fe2 C209 40.40(12) . . ?
C205 Fe2 C209 122.57(12) . . ?
C201 Fe2 C203 68.12(12) . . ?
C202 Fe2 C203 40.37(12) . . ?
C207 Fe2 C203 123.54(13) . . ?
C206 Fe2 C203 108.02(12) . . ?
C210 Fe2 C203 123.85(13) . . ?
C208 Fe2 C203 159.34(14) . . ?
C205 Fe2 C203 68.08(13) . . ?
C209 Fe2 C203 159.20(14) . . ?
C201 Fe2 C204 68.30(12) . . ?
C202 Fe2 C204 68.47(13) . . ?
C207 Fe2 C204 107.75(12) . . ?
C206 Fe2 C204 123.04(12) . . ?
C210 Fe2 C204 159.63(13) . . ?
C208 Fe2 C204 123.24(13) . . ?
C205 Fe2 C204 40.25(12) . . ?
C209 Fe2 C204 158.74(14) . . ?
C203 Fe2 C204 40.23(13) . . ?
C206 P2 C218 103.00(13) . . ?
C206 P2 C212 102.16(13) . . ?
C218 P2 C212 105.32(12) . . ?
C206 P2 Ag2 116.80(9) . . ?
C218 P2 Ag2 113.92(9) . . ?
C212 P2 Ag2 114.13(9) . . ?
C211 C201 C202 127.6(3) . . ?
C211 C201 C205 123.8(3) . . ?
C202 C201 C205 108.6(3) . . ?
C211 C201 Fe2 124.9(2) . . ?
C202 C201 Fe2 69.83(16) . . ?
C205 C201 Fe2 70.46(15) . . ?
C203 C202 C201 106.9(3) . . ?
C203 C202 Fe2 70.67(17) . . ?
C201 C202 Fe2 68.82(16) . . ?
C203 C202 H202 126.6 . . ?
C201 C202 H202 126.6 . . ?
Fe2 C202 H202 125.5 . . ?
C202 C203 C204 109.0(3) . . ?
C202 C203 Fe2 68.97(17) . . ?
C204 C203 Fe2 69.90(18) . . ?
C202 C203 H203 125.5 . . ?
C204 C203 H203 125.5 . . ?
Fe2 C203 H203 127.2 . . ?
C205 C204 C203 108.8(3) . . ?
C205 C204 Fe2 69.68(16) . . ?
C203 C204 Fe2 69.86(17) . . ?
C205 C204 H204 125.6 . . ?
C203 C204 H204 125.6 . . ?
Fe2 C204 H204 126.4 . . ?
C204 C205 C201 106.7(3) . . ?
C204 C205 Fe2 70.08(16) . . ?
C201 C205 Fe2 68.15(15) . . ?
C204 C205 H205 126.6 . . ?
C201 C205 H205 126.6 . . ?
Fe2 C205 H205 126.7 . . ?
C210 C206 C207 106.8(3) . . ?
C210 C206 P2 128.2(2) . . ?
C207 C206 P2 124.9(2) . . ?
C210 C206 Fe2 69.57(15) . . ?
C207 C206 Fe2 69.33(15) . . ?
P2 C206 Fe2 128.88(14) . . ?
C208 C207 C206 108.0(3) . . ?
C208 C207 Fe2 70.16(17) . . ?
C206 C207 Fe2 69.53(16) . . ?
C208 C207 H207 126.0 . . ?
C206 C207 H207 126.0 . . ?
Fe2 C207 H207 125.9 . . ?
C209 C208 C207 108.7(3) . . ?
C209 C208 Fe2 69.81(17) . . ?
C207 C208 Fe2 69.31(17) . . ?
C209 C208 H208 125.7 . . ?
C207 C208 H208 125.7 . . ?
Fe2 C208 H208 126.8 . . ?
C210 C209 C208 107.8(3) . . ?
C210 C209 Fe2 69.56(16) . . ?
C208 C209 Fe2 69.78(17) . . ?
C210 C209 H209 126.1 . . ?
C208 C209 H209 126.1 . . ?
Fe2 C209 H209 126.1 . . ?
C209 C210 C206 108.8(3) . . ?
C209 C210 Fe2 70.07(16) . . ?
C206 C210 Fe2 69.40(14) . . ?
C209 C210 H210 125.6 . . ?
C206 C210 H210 125.6 . . ?
Fe2 C210 H210 126.5 . . ?
N2 C211 C201 176.8(3) . . ?
C213 C212 C217 118.8(2) . . ?
C213 C212 P2 118.2(2) . . ?
C217 C212 P2 122.9(2) . . ?
C212 C213 C214 120.5(3) . . ?
C212 C213 H213 119.8 . . ?
C214 C213 H213 119.8 . . ?
C215 C214 C213 120.1(3) . . ?
C215 C214 H214 119.9 . . ?
C213 C214 H214 119.9 . . ?
C216 C215 C214 120.1(3) . . ?
C216 C215 H215 119.9 . . ?
C214 C215 H215 119.9 . . ?
C215 C216 C217 120.1(3) . . ?
C215 C216 H216 119.9 . . ?
C217 C216 H216 119.9 . . ?
C212 C217 C216 120.3(3) . . ?
C212 C217 H217 119.9 . . ?
C216 C217 H217 119.9 . . ?
C219 C218 C223 118.6(3) . . ?
C219 C218 P2 118.92(19) . . ?
C223 C218 P2 122.5(2) . . ?
C220 C219 C218 120.4(3) . . ?
C220 C219 H219 119.8 . . ?
C218 C219 H219 119.8 . . ?
C221 C220 C219 120.5(3) . . ?
C221 C220 H220 119.8 . . ?
C219 C220 H220 119.8 . . ?
C220 C221 C222 119.9(3) . . ?
C220 C221 H221 120.1 . . ?
C222 C221 H221 120.1 . . ?
C221 C222 C223 120.1(3) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 H222 119.9 . . ?
C222 C223 C218 120.5(3) . . ?
C222 C223 H223 119.8 . . ?
C218 C223 H223 119.8 . . ?
P3 Ag3 Cl4 146.72(3) . . ?
P3 Ag3 Cl3 104.62(2) . . ?
Cl4 Ag3 Cl3 90.62(2) . . ?
P3 Ag3 Cl2 110.67(2) . . ?
Cl4 Ag3 Cl2 95.73(2) . . ?
Cl3 Ag3 Cl2 98.35(2) . . ?
Ag4 Cl3 Ag2 89.21(2) . . ?
Ag4 Cl3 Ag3 89.17(2) . . ?
Ag2 Cl3 Ag3 78.984(19) . . ?
C301 Fe3 C305 41.18(11) . . ?
C301 Fe3 C302 41.18(12) . . ?
C305 Fe3 C302 69.26(12) . . ?
C301 Fe3 C307 127.33(12) . . ?
C305 Fe3 C307 107.80(13) . . ?
C302 Fe3 C307 165.32(12) . . ?
C301 Fe3 C310 151.73(12) . . ?
C305 Fe3 C310 165.86(12) . . ?
C302 Fe3 C310 117.64(13) . . ?
C307 Fe3 C310 68.72(13) . . ?
C301 Fe3 C306 166.01(12) . . ?
C305 Fe3 C306 127.75(12) . . ?
C302 Fe3 C306 151.79(12) . . ?
C307 Fe3 C306 41.15(11) . . ?
C310 Fe3 C306 40.77(11) . . ?
C301 Fe3 C309 117.81(12) . . ?
C305 Fe3 C309 152.08(12) . . ?
C302 Fe3 C309 107.22(14) . . ?
C307 Fe3 C309 68.24(14) . . ?
C310 Fe3 C309 40.76(11) . . ?
C306 Fe3 C309 68.54(12) . . ?
C301 Fe3 C308 107.62(12) . . ?
C305 Fe3 C308 118.82(13) . . ?
C302 Fe3 C308 127.12(13) . . ?
C307 Fe3 C308 40.64(12) . . ?
C310 Fe3 C308 68.11(13) . . ?
C306 Fe3 C308 68.54(11) . . ?
C309 Fe3 C308 40.03(14) . . ?
C301 Fe3 C304 68.08(12) . . ?
C305 Fe3 C304 40.28(12) . . ?
C302 Fe3 C304 68.15(12) . . ?
C307 Fe3 C304 119.54(13) . . ?
C310 Fe3 C304 128.43(12) . . ?
C306 Fe3 C304 108.88(11) . . ?
C309 Fe3 C304 166.00(14) . . ?
C308 Fe3 C304 153.17(14) . . ?
C301 Fe3 C303 68.37(12) . . ?
C305 Fe3 C303 68.32(13) . . ?
C302 Fe3 C303 40.55(12) . . ?
C307 Fe3 C303 153.05(12) . . ?
C310 Fe3 C303 108.18(13) . . ?
C306 Fe3 C303 118.80(12) . . ?
C309 Fe3 C303 127.90(15) . . ?
C308 Fe3 C303 165.10(14) . . ?
C304 Fe3 C303 40.20(12) . . ?
C306 P3 C318 103.90(13) . . ?
C306 P3 C312 105.03(13) . . ?
C318 P3 C312 102.56(12) . . ?
C306 P3 Ag3 113.20(9) . . ?
C318 P3 Ag3 119.88(9) . . ?
C312 P3 Ag3 110.79(10) . . ?
C305 C301 C302 108.3(3) . . ?
C305 C301 C311 127.0(3) . . ?
C302 C301 C311 124.7(3) . . ?
C305 C301 Fe3 69.87(15) . . ?
C302 C301 Fe3 70.00(16) . . ?
C311 C301 Fe3 124.7(2) . . ?
C303 C302 C301 107.2(3) . . ?
C303 C302 Fe3 70.28(18) . . ?
C301 C302 Fe3 68.82(17) . . ?
C303 C302 H302 126.4 . . ?
C301 C302 H302 126.4 . . ?
Fe3 C302 H302 126.0 . . ?
C304 C303 C302 108.2(3) . . ?
C304 C303 Fe3 69.86(18) . . ?
C302 C303 Fe3 69.17(18) . . ?
C304 C303 H303 125.9 . . ?
C302 C303 H303 125.9 . . ?
Fe3 C303 H303 126.7 . . ?
C305 C304 C303 109.1(3) . . ?
C305 C304 Fe3 69.21(16) . . ?
C303 C304 Fe3 69.95(18) . . ?
C305 C304 H304 125.5 . . ?
C303 C304 H304 125.5 . . ?
Fe3 C304 H304 127.0 . . ?
C304 C305 C301 107.2(3) . . ?
C304 C305 Fe3 70.51(16) . . ?
C301 C305 Fe3 68.95(16) . . ?
C304 C305 H305 126.4 . . ?
C301 C305 H305 126.4 . . ?
Fe3 C305 H305 125.7 . . ?
C310 C306 C307 107.5(3) . . ?
C310 C306 P3 129.2(2) . . ?
C307 C306 P3 123.3(2) . . ?
C310 C306 Fe3 69.61(15) . . ?
C307 C306 Fe3 69.35(16) . . ?
P3 C306 Fe3 123.77(14) . . ?
C308 C307 C306 107.6(3) . . ?
C308 C307 Fe3 70.05(19) . . ?
C306 C307 Fe3 69.50(17) . . ?
C308 C307 H307 126.2 . . ?
C306 C307 H307 126.2 . . ?
Fe3 C307 H307 125.8 . . ?
C309 C308 C307 108.6(3) . . ?
C309 C308 Fe3 69.85(19) . . ?
C307 C308 Fe3 69.31(17) . . ?
C309 C308 H308 125.7 . . ?
C307 C308 H308 125.7 . . ?
Fe3 C308 H308 126.7 . . ?
C308 C309 C310 108.4(3) . . ?
C308 C309 Fe3 70.12(18) . . ?
C310 C309 Fe3 69.45(16) . . ?
C308 C309 H309 125.8 . . ?
C310 C309 H309 125.8 . . ?
Fe3 C309 H309 126.2 . . ?
C306 C310 C309 108.0(3) . . ?
C306 C310 Fe3 69.62(15) . . ?
C309 C310 Fe3 69.79(16) . . ?
C306 C310 H310 126.0 . . ?
C309 C310 H310 126.0 . . ?
Fe3 C310 H310 126.1 . . ?
N3 C311 C301 178.1(4) . . ?
C313 C312 C317 118.6(3) . . ?
C313 C312 P3 123.5(2) . . ?
C317 C312 P3 117.9(2) . . ?
C312 C313 C314 120.9(3) . . ?
C312 C313 H313 119.6 . . ?
C314 C313 H313 119.6 . . ?
C315 C314 C313 119.8(3) . . ?
C315 C314 H314 120.1 . . ?
C313 C314 H314 120.1 . . ?
C314 C315 C316 120.1(3) . . ?
C314 C315 H315 119.9 . . ?
C316 C315 H315 119.9 . . ?
C317 C316 C315 120.1(3) . . ?
C317 C316 H316 120.0 . . ?
C315 C316 H316 120.0 . . ?
C316 C317 C312 120.6(3) . . ?
C316 C317 H317 119.7 . . ?
C312 C317 H317 119.7 . . ?
C323 C318 C319 118.6(3) . . ?
C323 C318 P3 119.2(2) . . ?
C319 C318 P3 122.2(2) . . ?
C320 C319 C318 120.6(3) . . ?
C320 C319 H319 119.7 . . ?
C318 C319 H319 119.7 . . ?
C319 C320 C321 120.3(3) . . ?
C319 C320 H320 119.9 . . ?
C321 C320 H320 119.9 . . ?
C322 C321 C320 119.9(3) . . ?
C322 C321 H321 120.1 . . ?
C320 C321 H321 120.1 . . ?
C321 C322 C323 120.2(3) . . ?
C321 C322 H322 119.9 . . ?
C323 C322 H322 119.9 . . ?
C318 C323 C322 120.5(3) . . ?
C318 C323 H323 119.8 . . ?
C322 C323 H323 119.8 . . ?
P4 Ag4 Cl3 123.52(2) . . ?
P4 Ag4 Cl1 135.24(2) . . ?
Cl3 Ag4 Cl1 92.96(2) . . ?
P4 Ag4 Cl4 110.54(2) . . ?
Cl3 Ag4 Cl4 89.23(2) . . ?
Cl1 Ag4 Cl4 93.20(2) . . ?
Ag3 Cl4 Ag1 86.26(2) . . ?
Ag3 Cl4 Ag4 89.20(2) . . ?
Ag1 Cl4 Ag4 84.19(2) . . ?
C407 Fe4 C403 103.99(13) . . ?
C407 Fe4 C404 121.16(13) . . ?
C403 Fe4 C404 40.73(13) . . ?
C407 Fe4 C408 40.63(11) . . ?
C403 Fe4 C408 115.16(13) . . ?
C404 Fe4 C408 102.81(13) . . ?
C407 Fe4 C405 158.54(12) . . ?
C403 Fe4 C405 68.30(13) . . ?
C404 Fe4 C405 40.19(12) . . ?
C408 Fe4 C405 122.85(12) . . ?
C407 Fe4 C402 118.87(12) . . ?
C403 Fe4 C402 40.06(12) . . ?
C404 Fe4 C402 68.14(13) . . ?
C408 Fe4 C402 150.84(13) . . ?
C405 Fe4 C402 68.90(12) . . ?
C407 Fe4 C401 156.44(11) . . ?
C403 Fe4 C401 67.87(13) . . ?
C404 Fe4 C401 67.94(13) . . ?
C408 Fe4 C401 162.92(12) . . ?
C405 Fe4 C401 41.01(11) . . ?
C402 Fe4 C401 40.83(12) . . ?
C407 Fe4 C406 41.24(10) . . ?
C403 Fe4 C406 125.90(12) . . ?
C404 Fe4 C406 160.72(13) . . ?
C408 Fe4 C406 68.44(11) . . ?
C405 Fe4 C406 158.84(12) . . ?
C402 Fe4 C406 110.68(11) . . ?
C401 Fe4 C406 124.68(11) . . ?
C407 Fe4 C410 68.81(11) . . ?
C403 Fe4 C410 165.60(12) . . ?
C404 Fe4 C410 153.67(12) . . ?
C408 Fe4 C410 68.07(11) . . ?
C405 Fe4 C410 122.85(12) . . ?
C402 Fe4 C410 131.46(12) . . ?
C401 Fe4 C410 113.53(12) . . ?
C406 Fe4 C410 40.68(10) . . ?
C407 Fe4 C409 68.40(11) . . ?
C403 Fe4 C409 150.10(13) . . ?
C404 Fe4 C409 116.88(12) . . ?
C408 Fe4 C409 40.32(11) . . ?
C405 Fe4 C409 107.75(12) . . ?
C402 Fe4 C409 168.55(13) . . ?
C401 Fe4 C409 129.65(12) . . ?
C406 Fe4 C409 68.24(10) . . ?
C410 Fe4 C409 40.40(10) . . ?
C406 P4 C412 102.34(12) . . ?
C406 P4 C418 100.99(12) . . ?
C412 P4 C418 104.08(13) . . ?
C406 P4 Ag4 118.29(9) . . ?
C412 P4 Ag4 110.00(9) . . ?
C418 P4 Ag4 119.02(8) . . ?
C411 C401 C402 124.4(3) . . ?
C411 C401 C405 127.4(3) . . ?
C402 C401 C405 107.9(3) . . ?
C411 C401 Fe4 130.9(2) . . ?
C402 C401 Fe4 69.58(17) . . ?
C405 C401 Fe4 69.29(16) . . ?
C403 C402 C401 107.6(3) . . ?
C403 C402 Fe4 69.66(17) . . ?
C401 C402 Fe4 69.59(15) . . ?
C403 C402 H402 126.2 . . ?
C401 C402 H402 126.2 . . ?
Fe4 C402 H402 126.1 . . ?
C402 C403 C404 108.7(3) . . ?
C402 C403 Fe4 70.29(17) . . ?
C404 C403 Fe4 69.70(17) . . ?
C402 C403 H403 125.7 . . ?
C404 C403 H403 125.7 . . ?
Fe4 C403 H403 125.9 . . ?
C405 C404 C403 108.5(3) . . ?
C405 C404 Fe4 69.95(17) . . ?
C403 C404 Fe4 69.57(17) . . ?
C405 C404 H404 125.7 . . ?
C403 C404 H404 125.7 . . ?
Fe4 C404 H404 126.3 . . ?
C404 C405 C401 107.4(3) . . ?
C404 C405 Fe4 69.87(18) . . ?
C401 C405 Fe4 69.70(16) . . ?
C404 C405 H405 126.3 . . ?
C401 C405 H405 126.3 . . ?
Fe4 C405 H405 125.7 . . ?
C410 C406 C407 107.4(2) . . ?
C410 C406 P4 128.0(2) . . ?
C407 C406 P4 124.5(2) . . ?
C410 C406 Fe4 69.79(15) . . ?
C407 C406 Fe4 68.65(15) . . ?
P4 C406 Fe4 129.77(13) . . ?
C408 C407 C406 107.6(2) . . ?
C408 C407 Fe4 70.14(17) . . ?
C406 C407 Fe4 70.11(16) . . ?
C408 C407 H407 126.2 . . ?
C406 C407 H407 126.2 . . ?
Fe4 C407 H407 125.2 . . ?
C407 C408 C409 108.8(3) . . ?
C407 C408 Fe4 69.23(16) . . ?
C409 C408 Fe4 70.58(17) . . ?
C407 C408 H408 125.6 . . ?
C409 C408 H408 125.6 . . ?
Fe4 C408 H408 126.2 . . ?
C408 C409 C410 107.9(2) . . ?
C408 C409 Fe4 69.10(16) . . ?
C410 C409 Fe4 69.48(14) . . ?
C408 C409 H409 126.1 . . ?
C410 C409 H409 126.1 . . ?
Fe4 C409 H409 126.9 . . ?
C409 C410 C406 108.2(3) . . ?
C409 C410 Fe4 70.12(16) . . ?
C406 C410 Fe4 69.53(15) . . ?
C409 C410 H410 125.9 . . ?
C406 C410 H410 125.9 . . ?
Fe4 C410 H410 126.0 . . ?
N4 C411 C401 177.0(3) . . ?
C417 C412 C413 119.1(3) . . ?
C417 C412 P4 118.6(2) . . ?
C413 C412 P4 122.3(2) . . ?
C414 C413 C412 119.9(3) . . ?
C414 C413 H413 120.1 . . ?
C412 C413 H413 120.1 . . ?
C415 C414 C413 120.8(3) . . ?
C415 C414 H414 119.6 . . ?
C413 C414 H414 119.6 . . ?
C414 C415 C416 119.6(3) . . ?
C414 C415 H415 120.2 . . ?
C416 C415 H415 120.2 . . ?
C417 C416 C415 119.9(3) . . ?
C417 C416 H416 120.0 . . ?
C415 C416 H416 120.0 . . ?
C416 C417 C412 120.6(3) . . ?
C416 C417 H417 119.7 . . ?
C412 C417 H417 119.7 . . ?
C419 C418 C423 118.6(3) . . ?
C419 C418 P4 118.5(2) . . ?
C423 C418 P4 122.7(2) . . ?
C418 C419 C420 120.6(3) . . ?
C418 C419 H419 119.7 . . ?
C420 C419 H419 119.7 . . ?
C421 C420 C419 120.2(3) . . ?
C421 C420 H420 119.9 . . ?
C419 C420 H420 119.9 . . ?
C422 C421 C420 119.6(3) . . ?
C422 C421 H421 120.2 . . ?
C420 C421 H421 120.2 . . ?
C423 C422 C421 120.3(3) . . ?
C423 C422 H422 119.9 . . ?
C421 C422 H422 119.9 . . ?
C422 C423 C418 120.6(3) . . ?
C422 C423 H423 119.7 . . ?
C418 C423 H423 119.7 . . ?
H1W O1W H2W 92.1 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.107
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks168
_database_code_depnum_ccdc_archive 'CCDC 1470454'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Ag2 Cl2 Fe4 N4 P4, C H2 Cl2'
_chemical_formula_sum            'C93 H74 Ag2 Cl4 Fe4 N4 P4'
_chemical_formula_weight         1952.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8421(4)
_cell_length_b                   16.8593(5)
_cell_length_c                   18.7465(5)
_cell_angle_alpha                64.3940(10)
_cell_angle_beta                 77.5680(10)
_cell_angle_gamma                74.7520(10)
_cell_volume                     4053.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      27.51

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1972
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_T_max  0.763

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61134
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.21
_diffrn_reflns_theta_max         27.50
_reflns_number_total             18596
_reflns_number_gt                15457
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0286P)²+4.7392P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18596
_refine_ls_number_parameters     1045
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0740
_refine_ls_wR_factor_gt          0.0687
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.203798(13) 0.328059(12) 0.302515(11) 0.01886(5) Uani 1 1 d . . .
Ag2 Ag 0.284987(12) 0.173704(12) 0.197434(10) 0.01875(5) Uani 1 1 d . . .
Cl1 Cl 0.37207(4) 0.25139(4) 0.25293(4) 0.02073(12) Uani 1 1 d . . .
Cl2 Cl 0.11794(4) 0.25221(4) 0.24556(3) 0.02096(12) Uani 1 1 d . . .
Fe1 Fe 0.41782(2) 0.50265(2) 0.28426(2) 0.01963(8) Uani 1 1 d . . .
Fe2 Fe -0.09025(2) 0.34162(2) 0.45211(2) 0.01848(8) Uani 1 1 d . . .
Fe3 Fe 0.11302(2) 0.15634(2) 0.03093(2) 0.01958(8) Uani 1 1 d . . .
Fe4 Fe 0.57440(2) -0.01568(3) 0.22484(2) 0.02655(9) Uani 1 1 d . . .
P1 P 0.21294(4) 0.48868(4) 0.22788(4) 0.01626(12) Uani 1 1 d . . .
P2 P 0.15193(4) 0.26637(4) 0.44765(4) 0.01546(12) Uani 1 1 d . . .
P3 P 0.29257(4) 0.23683(4) 0.05014(4) 0.01658(12) Uani 1 1 d . . .
P4 P 0.33391(4) 0.01058(4) 0.27498(4) 0.01645(12) Uani 1 1 d . . .
N1 N 0.63692(19) 0.61449(19) 0.27903(17) 0.0444(7) Uani 1 1 d . . .
N2 N -0.37558(17) 0.34761(19) 0.53153(18) 0.0434(7) Uani 1 1 d . . .
N3 N -0.1048(2) 0.1452(2) -0.0709(2) 0.0649(9) Uani 1 1 d . . .
N4 N 0.8626(2) -0.1139(2) 0.23223(19) 0.0598(9) Uani 1 1 d . . .
C101 C 0.55719(18) 0.50038(19) 0.27165(17) 0.0280(6) Uani 1 1 d . . .
C102 C 0.53387(18) 0.42120(18) 0.33680(17) 0.0292(6) Uani 1 1 d . . .
H102 H 0.5426 0.4024 0.3909 0.035 Uiso 1 1 calc R . .
C103 C 0.49511(19) 0.37584(19) 0.30542(19) 0.0336(7) Uani 1 1 d . . .
H103 H 0.4734 0.3210 0.3352 0.040 Uiso 1 1 calc R . .
C104 C 0.49439(18) 0.4259(2) 0.22297(18) 0.0329(7) Uani 1 1 d . . .
H104 H 0.4722 0.4103 0.1878 0.039 Uiso 1 1 calc R . .
C105 C 0.53201(18) 0.5034(2) 0.20065(17) 0.0308(6) Uani 1 1 d . . .
H105 H 0.5392 0.5488 0.1486 0.037 Uiso 1 1 calc R . .
C106 C 0.27827(16) 0.53101(15) 0.27022(14) 0.0185(5) Uani 1 1 d . . .
C107 C 0.31663(18) 0.61100(17) 0.23388(17) 0.0254(5) Uani 1 1 d . . .
H107 H 0.3183 0.6507 0.1793 0.030 Uiso 1 1 calc R . .
C108 C 0.35176(19) 0.62057(18) 0.29402(18) 0.0313(6) Uani 1 1 d . . .
H108 H 0.3809 0.6680 0.2864 0.038 Uiso 1 1 calc R . .
C109 C 0.33600(18) 0.54774(19) 0.36700(17) 0.0285(6) Uani 1 1 d . . .
H109 H 0.3527 0.5376 0.4168 0.034 Uiso 1 1 calc R . .
C110 C 0.29071(17) 0.49237(17) 0.35277(15) 0.0222(5) Uani 1 1 d . . .
H110 H 0.2719 0.4387 0.3916 0.027 Uiso 1 1 calc R . .
C111 C 0.59948(19) 0.5648(2) 0.27633(17) 0.0310(6) Uani 1 1 d . . .
C112 C 0.09621(16) 0.55897(15) 0.23089(14) 0.0181(5) Uani 1 1 d . . .
C113 C 0.07551(18) 0.62699(17) 0.25841(16) 0.0272(6) Uani 1 1 d . . .
H113 H 0.1239 0.6400 0.2752 0.033 Uiso 1 1 calc R . .
C114 C -0.0155(2) 0.67606(19) 0.26145(17) 0.0323(6) Uani 1 1 d . . .
H114 H -0.0292 0.7220 0.2808 0.039 Uiso 1 1 calc R . .
C115 C -0.08583(19) 0.6584(2) 0.23655(17) 0.0331(6) Uani 1 1 d . . .
H115 H -0.1479 0.6923 0.2384 0.040 Uiso 1 1 calc R . .
C116 C -0.06602(19) 0.5914(2) 0.20890(17) 0.0342(7) Uani 1 1 d . . .
H116 H -0.1146 0.5794 0.1914 0.041 Uiso 1 1 calc R . .
C117 C 0.02414(18) 0.54124(18) 0.20638(15) 0.0253(5) Uani 1 1 d . . .
H117 H 0.0369 0.4946 0.1879 0.030 Uiso 1 1 calc R . .
C118 C 0.25544(16) 0.53236(16) 0.12155(14) 0.0181(5) Uani 1 1 d . . .
C119 C 0.22133(17) 0.61957(16) 0.06971(15) 0.0226(5) Uani 1 1 d . . .
H119 H 0.1759 0.6587 0.0897 0.027 Uiso 1 1 calc R . .
C120 C 0.25350(19) 0.64939(18) -0.01096(16) 0.0275(6) Uani 1 1 d . . .
H120 H 0.2283 0.7080 -0.0463 0.033 Uiso 1 1 calc R . .
C121 C 0.3222(2) 0.59365(19) -0.03979(16) 0.0300(6) Uani 1 1 d . . .
H121 H 0.3455 0.6146 -0.0948 0.036 Uiso 1 1 calc R . .
C122 C 0.35713(19) 0.50739(19) 0.01131(16) 0.0292(6) Uani 1 1 d . . .
H122 H 0.4047 0.4695 -0.0086 0.035 Uiso 1 1 calc R . .
C123 C 0.32294(18) 0.47596(17) 0.09155(15) 0.0229(5) Uani 1 1 d . . .
H123 H 0.3455 0.4160 0.1260 0.028 Uiso 1 1 calc R . .
C201 C -0.21964(17) 0.33070(18) 0.44250(16) 0.0248(5) Uani 1 1 d . . .
C202 C -0.15421(18) 0.24787(18) 0.45294(17) 0.0258(6) Uani 1 1 d . . .
H202 H -0.1585 0.1912 0.4954 0.031 Uiso 1 1 calc R . .
C203 C -0.08236(18) 0.26638(19) 0.38824(17) 0.0293(6) Uani 1 1 d . . .
H203 H -0.0298 0.2238 0.3795 0.035 Uiso 1 1 calc R . .
C204 C -0.1016(2) 0.3586(2) 0.33880(17) 0.0341(7) Uani 1 1 d . . .
H204 H -0.0640 0.3883 0.2913 0.041 Uiso 1 1 calc R . .
C205 C -0.18638(19) 0.39961(19) 0.37155(17) 0.0307(6) Uani 1 1 d . . .
H205 H -0.2155 0.4611 0.3504 0.037 Uiso 1 1 calc R . .
C206 C 0.04078(16) 0.32219(15) 0.48193(14) 0.0177(5) Uani 1 1 d . . .
C207 C 0.00287(17) 0.41615(16) 0.44421(16) 0.0235(5) Uani 1 1 d . . .
H207 H 0.0299 0.4578 0.3966 0.028 Uiso 1 1 calc R . .
C208 C -0.08238(18) 0.43595(18) 0.49071(18) 0.0302(6) Uani 1 1 d . . .
H208 H -0.1221 0.4932 0.4795 0.036 Uiso 1 1 calc R . .
C209 C -0.09790(18) 0.35586(19) 0.55639(17) 0.0280(6) Uani 1 1 d . . .
H209 H -0.1499 0.3501 0.5968 0.034 Uiso 1 1 calc R . .
C210 C -0.02256(17) 0.28559(17) 0.55170(15) 0.0217(5) Uani 1 1 d . . .
H210 H -0.0153 0.2247 0.5885 0.026 Uiso 1 1 calc R . .
C211 C -0.30537(19) 0.34110(19) 0.49315(18) 0.0303(6) Uani 1 1 d . . .
C212 C 0.23357(16) 0.27778(15) 0.50142(14) 0.0168(5) Uani 1 1 d . . .
C213 C 0.32976(18) 0.25205(17) 0.48127(16) 0.0257(5) Uani 1 1 d . . .
H213 H 0.3504 0.2247 0.4441 0.031 Uiso 1 1 calc R . .
C214 C 0.39531(19) 0.26617(19) 0.51508(18) 0.0328(6) Uani 1 1 d . . .
H214 H 0.4605 0.2477 0.5014 0.039 Uiso 1 1 calc R . .
C215 C 0.3669(2) 0.30678(18) 0.56838(17) 0.0319(6) Uani 1 1 d . . .
H215 H 0.4122 0.3175 0.5904 0.038 Uiso 1 1 calc R . .
C216 C 0.2719(2) 0.33168(19) 0.58951(17) 0.0300(6) Uani 1 1 d . . .
H216 H 0.2519 0.3590 0.6267 0.036 Uiso 1 1 calc R . .
C217 C 0.20535(18) 0.31698(17) 0.55657(15) 0.0237(5) Uani 1 1 d . . .
H217 H 0.1403 0.3338 0.5718 0.028 Uiso 1 1 calc R . .
C218 C 0.14419(16) 0.14800(15) 0.49917(14) 0.0167(5) Uani 1 1 d . . .
C219 C 0.12806(17) 0.10352(16) 0.45685(15) 0.0215(5) Uani 1 1 d . . .
H219 H 0.1236 0.1340 0.4013 0.026 Uiso 1 1 calc R . .
C220 C 0.11849(19) 0.01434(17) 0.49612(16) 0.0273(6) Uani 1 1 d . . .
H220 H 0.1054 -0.0153 0.4676 0.033 Uiso 1 1 calc R . .
C221 C 0.12793(19) -0.03142(17) 0.57630(16) 0.0279(6) Uani 1 1 d . . .
H221 H 0.1217 -0.0925 0.6027 0.034 Uiso 1 1 calc R . .
C222 C 0.14646(18) 0.01164(17) 0.61825(16) 0.0252(5) Uani 1 1 d . . .
H222 H 0.1541 -0.0202 0.6732 0.030 Uiso 1 1 calc R . .
C223 C 0.15395(17) 0.10120(16) 0.58037(14) 0.0210(5) Uani 1 1 d . . .
H223 H 0.1657 0.1308 0.6096 0.025 Uiso 1 1 calc R . .
C301 C -0.02575(18) 0.17037(18) 0.02476(17) 0.0287(6) Uani 1 1 d . . .
C302 C -0.00552(18) 0.25430(18) 0.01318(18) 0.0294(6) Uani 1 1 d . . .
H302 H -0.0143 0.3089 -0.0326 0.035 Uiso 1 1 calc R . .
C303 C 0.02982(18) 0.2403(2) 0.08254(18) 0.0321(6) Uani 1 1 d . . .
H303 H 0.0486 0.2845 0.0917 0.039 Uiso 1 1 calc R . .
C304 C 0.03276(19) 0.1501(2) 0.13612(18) 0.0353(7) Uani 1 1 d . . .
H304 H 0.0540 0.1235 0.1872 0.042 Uiso 1 1 calc R . .
C305 C -0.00118(19) 0.1058(2) 0.10126(17) 0.0323(6) Uani 1 1 d . . .
H305 H -0.0066 0.0446 0.1244 0.039 Uiso 1 1 calc R . .
C306 C 0.24792(16) 0.17375(16) 0.01316(14) 0.0191(5) Uani 1 1 d . . .
C307 C 0.24264(17) 0.08074(16) 0.05770(16) 0.0228(5) Uani 1 1 d . . .
H307 H 0.2608 0.0446 0.1095 0.027 Uiso 1 1 calc R . .
C308 C 0.20563(19) 0.05235(18) 0.01073(17) 0.0291(6) Uani 1 1 d . . .
H308 H 0.1947 -0.0061 0.0258 0.035 Uiso 1 1 calc R . .
C309 C 0.18792(19) 0.12579(19) -0.06219(16) 0.0284(6) Uani 1 1 d . . .
H309 H 0.1628 0.1251 -0.1044 0.034 Uiso 1 1 calc R . .
C310 C 0.21392(17) 0.20075(18) -0.06175(15) 0.0235(5) Uani 1 1 d . . .
H310 H 0.2096 0.2587 -0.1037 0.028 Uiso 1 1 calc R . .
C311 C -0.0669(2) 0.1557(2) -0.0295(2) 0.0401(7) Uani 1 1 d . . .
C312 C 0.41466(17) 0.23137(16) 0.00429(14) 0.0207(5) Uani 1 1 d . . .
C313 C 0.4734(2) 0.2655(2) 0.0267(2) 0.0400(7) Uani 1 1 d . . .
H313 H 0.4486 0.2963 0.0609 0.048 Uiso 1 1 calc R . .
C314 C 0.5689(2) 0.2550(2) -0.0004(3) 0.0542(10) Uani 1 1 d . . .
H314 H 0.6084 0.2799 0.0146 0.065 Uiso 1 1 calc R . .
C315 C 0.6067(2) 0.2095(2) -0.0480(2) 0.0447(8) Uani 1 1 d . . .
H315 H 0.6723 0.2012 -0.0650 0.054 Uiso 1 1 calc R . .
C316 C 0.5492(2) 0.1764(3) -0.0709(2) 0.0565(10) Uani 1 1 d . . .
H316 H 0.5748 0.1450 -0.1045 0.068 Uiso 1 1 calc R . .
C317 C 0.4533(2) 0.1877(3) -0.0458(2) 0.0472(9) Uani 1 1 d . . .
H317 H 0.4140 0.1652 -0.0634 0.057 Uiso 1 1 calc R . .
C318 C 0.23765(17) 0.35299(16) -0.00420(14) 0.0196(5) Uani 1 1 d . . .
C319 C 0.17153(18) 0.39801(17) 0.03757(16) 0.0243(5) Uani 1 1 d . . .
H319 H 0.1584 0.3693 0.0938 0.029 Uiso 1 1 calc R . .
C320 C 0.12486(19) 0.48467(18) -0.00283(18) 0.0316(6) Uani 1 1 d . . .
H320 H 0.0793 0.5149 0.0258 0.038 Uiso 1 1 calc R . .
C321 C 0.1443(2) 0.52721(19) -0.08434(19) 0.0362(7) Uani 1 1 d . . .
H321 H 0.1109 0.5859 -0.1119 0.043 Uiso 1 1 calc R . .
C322 C 0.2124(2) 0.48430(18) -0.12594(17) 0.0316(6) Uani 1 1 d . . .
H322 H 0.2273 0.5144 -0.1818 0.038 Uiso 1 1 calc R . .
C323 C 0.25899(18) 0.39744(17) -0.08617(15) 0.0240(5) Uani 1 1 d . . .
H323 H 0.3056 0.3681 -0.1149 0.029 Uiso 1 1 calc R . .
C401 C 0.70330(18) -0.0103(2) 0.24062(18) 0.0307(6) Uani 1 1 d . . .
C402 C 0.6684(2) 0.0697(2) 0.1743(2) 0.0417(8) Uani 1 1 d . . .
H402 H 0.6971 0.0894 0.1208 0.050 Uiso 1 1 calc R . .
C403 C 0.5840(2) 0.1131(2) 0.2041(3) 0.0516(9) Uani 1 1 d . . .
H403 H 0.5457 0.1676 0.1739 0.062 Uiso 1 1 calc R . .
C404 C 0.5660(2) 0.0613(2) 0.2864(2) 0.0411(8) Uani 1 1 d . . .
H404 H 0.5134 0.0755 0.3208 0.049 Uiso 1 1 calc R . .
C405 C 0.6389(2) -0.0148(3) 0.3094(2) 0.0458(8) Uani 1 1 d . . .
H405 H 0.6438 -0.0606 0.3614 0.055 Uiso 1 1 calc R . .
C406 C 0.44381(16) -0.03951(16) 0.23382(14) 0.0189(5) Uani 1 1 d . . .
C407 C 0.50683(19) -0.12195(18) 0.27086(17) 0.0289(6) Uani 1 1 d . . .
H407 H 0.4994 -0.1624 0.3251 0.035 Uiso 1 1 calc R . .
C408 C 0.58242(19) -0.13290(18) 0.21273(18) 0.0303(6) Uani 1 1 d . . .
H408 H 0.6339 -0.1821 0.2213 0.036 Uiso 1 1 calc R . .
C409 C 0.56769(18) -0.05795(19) 0.14009(16) 0.0286(6) Uani 1 1 d . . .
H409 H 0.6078 -0.0477 0.0914 0.034 Uiso 1 1 calc R . .
C410 C 0.48245(18) -0.00045(18) 0.15248(15) 0.0243(5) Uani 1 1 d . . .
H410 H 0.4556 0.0547 0.1133 0.029 Uiso 1 1 calc R . .
C411 C 0.7909(2) -0.0680(2) 0.23426(17) 0.0341(7) Uani 1 1 d . . .
C412 C 0.25113(17) -0.05241(16) 0.27439(14) 0.0192(5) Uani 1 1 d . . .
C413 C 0.15644(18) -0.02592(19) 0.29718(16) 0.0284(6) Uani 1 1 d . . .
H413 H 0.1377 0.0189 0.3182 0.034 Uiso 1 1 calc R . .
C414 C 0.0892(2) -0.0645(2) 0.28945(19) 0.0369(7) Uani 1 1 d . . .
H414 H 0.0249 -0.0468 0.3064 0.044 Uiso 1 1 calc R . .
C415 C 0.1146(2) -0.12793(19) 0.25755(18) 0.0346(7) Uani 1 1 d . . .
H415 H 0.0679 -0.1525 0.2508 0.042 Uiso 1 1 calc R . .
C416 C 0.2078(2) -0.15561(19) 0.23551(18) 0.0343(7) Uani 1 1 d . . .
H416 H 0.2257 -0.1998 0.2139 0.041 Uiso 1 1 calc R . .
C417 C 0.27640(19) -0.11914(17) 0.24473(17) 0.0279(6) Uani 1 1 d . . .
H417 H 0.3409 -0.1399 0.2307 0.034 Uiso 1 1 calc R . .
C418 C 0.34641(16) -0.03023(16) 0.38032(14) 0.0179(5) Uani 1 1 d . . .
C419 C 0.35638(18) 0.03017(17) 0.40917(15) 0.0234(5) Uani 1 1 d . . .
H419 H 0.3521 0.0919 0.3751 0.028 Uiso 1 1 calc R . .
C420 C 0.37255(19) 0.00026(19) 0.48779(16) 0.0294(6) Uani 1 1 d . . .
H420 H 0.3810 0.0413 0.5069 0.035 Uiso 1 1 calc R . .
C421 C 0.37641(19) -0.08922(19) 0.53835(16) 0.0307(6) Uani 1 1 d . . .
H421 H 0.3882 -0.1097 0.5919 0.037 Uiso 1 1 calc R . .
C422 C 0.36299(18) -0.14869(18) 0.51044(15) 0.0259(6) Uani 1 1 d . . .
H422 H 0.3627 -0.2093 0.5461 0.031 Uiso 1 1 calc R . .
C423 C 0.34980(6) -0.12133(5) 0.43061(5) 0.0226(5) Uani 1 1 d . . .
H423 H 0.3434 -0.1629 0.4112 0.027 Uiso 1 1 calc R . .
C2S C 0.74757(6) 0.27667(5) 0.26862(5) 0.0538(12) Uani 0.60 1 d PRU A 1
H2S1 H 0.7439 0.2600 0.3266 0.065 Uiso 0.60 1 calc PR B 1
H2S2 H 0.7282 0.3426 0.2427 0.065 Uiso 0.60 1 calc PR C 1
Cl1S Cl 0.86373(6) 0.24507(5) 0.23186(5) 0.0521(4) Uani 0.60 1 d PRU A 1
Cl2S Cl 0.67026(6) 0.22641(5) 0.25205(5) 0.0429(3) Uani 0.60 1 d PRU A 1
C1S C 0.79509(6) 0.18946(5) 0.20813(5) 0.058(2) Uani 0.10 1 d PRU D 2
H1S1 H 0.7988 0.2080 0.1499 0.069 Uiso 0.10 1 calc PR E 2
H1S2 H 0.8154 0.1235 0.2325 0.069 Uiso 0.10 1 calc PR F 2
Cl3S Cl 0.87146(6) 0.23944(5) 0.22704(5) 0.0370(15) Uani 0.10 1 d PRU D 2
Cl4S Cl 0.67918(6) 0.21838(5) 0.24552(5) 0.0470(16) Uani 0.10 1 d PRU D 2
C3S C 0.84262(6) 0.24739(5) 0.23560(5) 0.0451(19) Uani 0.10 1 d PRU G 3
H3S1 H 0.8747 0.2933 0.1915 0.054 Uiso 0.10 1 calc PR H 3
H3S2 H 0.8862 0.2119 0.2766 0.054 Uiso 0.10 1 calc PR I 3
Cl5S Cl 0.74149(6) 0.30080(5) 0.27688(5) 0.0564(15) Uani 0.10 1 d PRU G 3
Cl6S Cl 0.81776(6) 0.17707(5) 0.19966(5) 0.0534(16) Uani 0.10 1 d PRU G 3
C4S C 0.70835(6) 0.20406(5) 0.27249(5) 0.0514(18) Uani 0.20 1 d PRU J 4
H4S1 H 0.7158 0.1518 0.3240 0.062 Uiso 0.20 1 calc PR K 4
H4S2 H 0.6428 0.2160 0.2612 0.062 Uiso 0.20 1 calc PR L 4
Cl7S Cl 0.72835(6) 0.29736(5) 0.28050(5) 0.0546(10) Uani 0.20 1 d PRU J 4
Cl8S Cl 0.78486(6) 0.17817(5) 0.19779(5) 0.0770(16) Uani 0.20 1 d PRU J 4


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.4791(6) . ?
Ag1 P2 2.4800(6) . ?
Ag1 Cl2 2.6500(6) . ?
Ag1 Cl1 2.6671(6) . ?
Ag2 P4 2.4804(6) . ?
Ag2 P3 2.4818(6) . ?
Ag2 Cl2 2.6563(6) . ?
Ag2 Cl1 2.6675(6) . ?
Fe1 C101 2.023(3) . ?
Fe1 C102 2.035(3) . ?
Fe1 C108 2.039(3) . ?
Fe1 C107 2.040(3) . ?
Fe1 C110 2.043(2) . ?
Fe1 C105 2.044(3) . ?
Fe1 C109 2.045(3) . ?
Fe1 C106 2.048(2) . ?
Fe1 C103 2.053(3) . ?
Fe1 C104 2.058(3) . ?
Fe2 C201 2.029(2) . ?
Fe2 C202 2.040(2) . ?
Fe2 C210 2.042(2) . ?
Fe2 C207 2.043(2) . ?
Fe2 C206 2.044(2) . ?
Fe2 C209 2.046(3) . ?
Fe2 C205 2.047(3) . ?
Fe2 C208 2.048(3) . ?
Fe2 C204 2.056(3) . ?
Fe2 C203 2.057(3) . ?
Fe3 C301 2.033(3) . ?
Fe3 C306 2.036(2) . ?
Fe3 C307 2.037(2) . ?
Fe3 C305 2.040(3) . ?
Fe3 C310 2.041(3) . ?
Fe3 C302 2.045(3) . ?
Fe3 C308 2.047(3) . ?
Fe3 C309 2.047(3) . ?
Fe3 C304 2.048(3) . ?
Fe3 C303 2.053(3) . ?
Fe4 C410 2.020(3) . ?
Fe4 C405 2.028(3) . ?
Fe4 C401 2.028(3) . ?
Fe4 C409 2.031(3) . ?
Fe4 C406 2.039(2) . ?
Fe4 C404 2.045(3) . ?
Fe4 C407 2.049(3) . ?
Fe4 C408 2.055(3) . ?
Fe4 C402 2.056(3) . ?
Fe4 C403 2.071(3) . ?
P1 C106 1.807(2) . ?
P1 C112 1.829(2) . ?
P1 C118 1.830(2) . ?
P2 C206 1.808(2) . ?
P2 C218 1.826(2) . ?
P2 C212 1.827(2) . ?
P3 C306 1.804(2) . ?
P3 C318 1.825(2) . ?
P3 C312 1.828(2) . ?
P4 C406 1.807(2) . ?
P4 C418 1.823(2) . ?
P4 C412 1.827(2) . ?
N1 C111 1.144(4) . ?
N2 C211 1.141(4) . ?
N3 C311 1.145(4) . ?
N4 C411 1.144(4) . ?
C101 C111 1.430(4) . ?
C101 C102 1.430(4) . ?
C101 C105 1.435(4) . ?
C102 C103 1.424(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.406(4) . ?
C103 H103 0.9500 . ?
C104 C105 1.415(4) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C110 1.429(3) . ?
C106 C107 1.432(3) . ?
C107 C108 1.423(4) . ?
C107 H107 0.9500 . ?
C108 C109 1.413(4) . ?
C108 H108 0.9500 . ?
C109 C110 1.420(4) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C113 1.391(3) . ?
C112 C117 1.394(3) . ?
C113 C114 1.390(4) . ?
C113 H113 0.9500 . ?
C114 C115 1.375(4) . ?
C114 H114 0.9500 . ?
C115 C116 1.377(4) . ?
C115 H115 0.9500 . ?
C116 C117 1.386(4) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.394(3) . ?
C118 C119 1.396(3) . ?
C119 C120 1.388(4) . ?
C119 H119 0.9500 . ?
C120 C121 1.383(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.384(4) . ?
C121 H121 0.9500 . ?
C122 C123 1.387(4) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C201 C205 1.430(4) . ?
C201 C211 1.434(4) . ?
C201 C202 1.437(3) . ?
C202 C203 1.413(4) . ?
C202 H202 0.9500 . ?
C203 C204 1.411(4) . ?
C203 H203 0.9500 . ?
C204 C205 1.420(4) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C210 1.433(3) . ?
C206 C207 1.435(3) . ?
C207 C208 1.424(4) . ?
C207 H207 0.9500 . ?
C208 C209 1.413(4) . ?
C208 H208 0.9500 . ?
C209 C210 1.419(3) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C217 1.393(3) . ?
C212 C213 1.397(3) . ?
C213 C214 1.387(4) . ?
C213 H213 0.9500 . ?
C214 C215 1.380(4) . ?
C214 H214 0.9500 . ?
C215 C216 1.383(4) . ?
C215 H215 0.9500 . ?
C216 C217 1.394(3) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.393(3) . ?
C218 C223 1.399(3) . ?
C219 C220 1.390(4) . ?
C219 H219 0.9500 . ?
C220 C221 1.380(4) . ?
C220 H220 0.9500 . ?
C221 C222 1.383(4) . ?
C221 H221 0.9500 . ?
C222 C223 1.387(3) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
C301 C311 1.426(4) . ?
C301 C305 1.429(4) . ?
C301 C302 1.439(4) . ?
C302 C303 1.409(4) . ?
C302 H302 0.9500 . ?
C303 C304 1.410(4) . ?
C303 H303 0.9500 . ?
C304 C305 1.414(4) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 C310 1.437(3) . ?
C306 C307 1.438(3) . ?
C307 C308 1.420(3) . ?
C307 H307 0.9500 . ?
C308 C309 1.411(4) . ?
C308 H308 0.9500 . ?
C309 C310 1.419(4) . ?
C309 H309 0.9500 . ?
C310 H310 0.9500 . ?
C312 C317 1.376(4) . ?
C312 C313 1.378(4) . ?
C313 C314 1.391(4) . ?
C313 H313 0.9500 . ?
C314 C315 1.359(5) . ?
C314 H314 0.9500 . ?
C315 C316 1.357(5) . ?
C315 H315 0.9500 . ?
C316 C317 1.389(4) . ?
C316 H316 0.9500 . ?
C317 H317 0.9500 . ?
C318 C323 1.394(3) . ?
C318 C319 1.394(3) . ?
C319 C320 1.387(4) . ?
C319 H319 0.9500 . ?
C320 C321 1.380(4) . ?
C320 H320 0.9500 . ?
C321 C322 1.385(4) . ?
C321 H321 0.9500 . ?
C322 C323 1.387(4) . ?
C322 H322 0.9500 . ?
C323 H323 0.9500 . ?
C401 C405 1.416(4) . ?
C401 C411 1.421(4) . ?
C401 C402 1.447(4) . ?
C402 C403 1.408(5) . ?
C402 H402 0.9500 . ?
C403 C404 1.412(5) . ?
C403 H403 0.9500 . ?
C404 C405 1.413(5) . ?
C404 H404 0.9500 . ?
C405 H405 0.9500 . ?
C406 C410 1.429(3) . ?
C406 C407 1.432(3) . ?
C407 C408 1.421(4) . ?
C407 H407 0.9500 . ?
C408 C409 1.412(4) . ?
C408 H408 0.9500 . ?
C409 C410 1.420(4) . ?
C409 H409 0.9500 . ?
C410 H410 0.9500 . ?
C412 C413 1.390(3) . ?
C412 C417 1.395(3) . ?
C413 C414 1.387(4) . ?
C413 H413 0.9500 . ?
C414 C415 1.374(4) . ?
C414 H414 0.9500 . ?
C415 C416 1.373(4) . ?
C415 H415 0.9500 . ?
C416 C417 1.393(4) . ?
C416 H416 0.9500 . ?
C417 H417 0.9500 . ?
C418 C419 1.393(3) . ?
C418 C423 1.407(2) . ?
C419 C420 1.389(4) . ?
C419 H419 0.9500 . ?
C420 C421 1.386(4) . ?
C420 H420 0.9500 . ?
C421 C422 1.386(4) . ?
C421 H421 0.9500 . ?
C422 C423 1.404(3) . ?
C422 H422 0.9500 . ?
C423 H423 0.9500 . ?
C2S Cl2S 1.7389 . ?
C2S Cl1S 1.7475 . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C1S Cl4S 1.7389 . ?
C1S Cl3S 1.7475 . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C3S Cl6S 1.7389 . ?
C3S Cl5S 1.7475 . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S Cl8S 1.7389 . ?
C4S Cl7S 1.7476 . ?
C4S H4S1 0.9900 . ?
C4S H4S2 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 P2 121.24(2) . . ?
P1 Ag1 Cl2 119.34(2) . . ?
P2 Ag1 Cl2 103.908(19) . . ?
P1 Ag1 Cl1 100.58(2) . . ?
P2 Ag1 Cl1 117.11(2) . . ?
Cl2 Ag1 Cl1 91.240(18) . . ?
P4 Ag2 P3 121.14(2) . . ?
P4 Ag2 Cl2 116.68(2) . . ?
P3 Ag2 Cl2 104.81(2) . . ?
P4 Ag2 Cl1 104.73(2) . . ?
P3 Ag2 Cl1 114.65(2) . . ?
Cl2 Ag2 Cl1 91.093(18) . . ?
Ag1 Cl1 Ag2 88.530(18) . . ?
Ag1 Cl2 Ag2 89.128(18) . . ?
C101 Fe1 C102 41.28(11) . . ?
C101 Fe1 C108 105.91(11) . . ?
C102 Fe1 C108 125.11(11) . . ?
C101 Fe1 C107 126.59(11) . . ?
C102 Fe1 C107 163.84(10) . . ?
C108 Fe1 C107 40.82(10) . . ?
C101 Fe1 C110 150.87(11) . . ?
C102 Fe1 C110 117.25(11) . . ?
C108 Fe1 C110 68.27(11) . . ?
C107 Fe1 C110 68.62(10) . . ?
C101 Fe1 C105 41.31(11) . . ?
C102 Fe1 C105 69.37(12) . . ?
C108 Fe1 C105 118.48(12) . . ?
C107 Fe1 C105 108.35(12) . . ?
C110 Fe1 C105 166.77(10) . . ?
C101 Fe1 C109 116.31(10) . . ?
C102 Fe1 C109 105.40(11) . . ?
C108 Fe1 C109 40.47(12) . . ?
C107 Fe1 C109 68.57(11) . . ?
C110 Fe1 C109 40.65(10) . . ?
C105 Fe1 C109 151.56(11) . . ?
C101 Fe1 C106 165.82(11) . . ?
C102 Fe1 C106 152.51(11) . . ?
C108 Fe1 C106 68.76(10) . . ?
C107 Fe1 C106 41.00(9) . . ?
C110 Fe1 C106 40.89(10) . . ?
C105 Fe1 C106 128.53(10) . . ?
C109 Fe1 C106 68.78(10) . . ?
C101 Fe1 C103 68.59(11) . . ?
C102 Fe1 C103 40.77(11) . . ?
C108 Fe1 C103 163.64(12) . . ?
C107 Fe1 C103 154.56(11) . . ?
C110 Fe1 C103 108.57(11) . . ?
C105 Fe1 C103 68.28(12) . . ?
C109 Fe1 C103 126.79(12) . . ?
C106 Fe1 C103 120.12(10) . . ?
C101 Fe1 C104 68.30(10) . . ?
C102 Fe1 C104 68.24(11) . . ?
C108 Fe1 C104 153.96(13) . . ?
C107 Fe1 C104 121.07(12) . . ?
C110 Fe1 C104 129.19(11) . . ?
C105 Fe1 C104 40.37(11) . . ?
C109 Fe1 C104 165.32(12) . . ?
C106 Fe1 C104 110.34(10) . . ?
C103 Fe1 C104 40.00(12) . . ?
C201 Fe2 C202 41.34(10) . . ?
C201 Fe2 C210 127.96(11) . . ?
C202 Fe2 C210 107.80(11) . . ?
C201 Fe2 C207 151.35(10) . . ?
C202 Fe2 C207 165.97(10) . . ?
C210 Fe2 C207 68.77(10) . . ?
C201 Fe2 C206 166.31(10) . . ?
C202 Fe2 C206 127.51(10) . . ?
C210 Fe2 C206 41.06(9) . . ?
C207 Fe2 C206 41.12(9) . . ?
C201 Fe2 C209 107.84(10) . . ?
C202 Fe2 C209 118.43(11) . . ?
C210 Fe2 C209 40.60(10) . . ?
C207 Fe2 C209 68.45(11) . . ?
C206 Fe2 C209 68.81(10) . . ?
C201 Fe2 C205 41.08(11) . . ?
C202 Fe2 C205 69.29(11) . . ?
C210 Fe2 C205 166.11(11) . . ?
C207 Fe2 C205 117.36(11) . . ?
C206 Fe2 C205 151.32(11) . . ?
C209 Fe2 C205 127.83(11) . . ?
C201 Fe2 C208 117.85(10) . . ?
C202 Fe2 C208 152.02(11) . . ?
C210 Fe2 C208 68.28(11) . . ?
C207 Fe2 C208 40.73(10) . . ?
C206 Fe2 C208 68.82(10) . . ?
C209 Fe2 C208 40.38(11) . . ?
C205 Fe2 C208 107.54(11) . . ?
C201 Fe2 C204 68.20(11) . . ?
C202 Fe2 C204 68.15(12) . . ?
C210 Fe2 C204 152.28(11) . . ?
C207 Fe2 C204 108.16(11) . . ?
C206 Fe2 C204 118.23(11) . . ?
C209 Fe2 C204 166.00(12) . . ?
C205 Fe2 C204 40.50(11) . . ?
C208 Fe2 C204 128.39(12) . . ?
C201 Fe2 C203 68.29(10) . . ?
C202 Fe2 C203 40.35(10) . . ?
C210 Fe2 C203 118.91(11) . . ?
C207 Fe2 C203 128.32(11) . . ?
C206 Fe2 C203 108.15(10) . . ?
C209 Fe2 C203 152.41(12) . . ?
C205 Fe2 C203 68.27(11) . . ?
C208 Fe2 C203 166.21(12) . . ?
C204 Fe2 C203 40.13(12) . . ?
C301 Fe3 C306 165.19(11) . . ?
C301 Fe3 C307 152.29(11) . . ?
C306 Fe3 C307 41.34(10) . . ?
C301 Fe3 C305 41.06(11) . . ?
C306 Fe3 C305 152.46(11) . . ?
C307 Fe3 C305 117.59(11) . . ?
C301 Fe3 C310 127.05(11) . . ?
C306 Fe3 C310 41.29(9) . . ?
C307 Fe3 C310 68.95(10) . . ?
C305 Fe3 C310 164.35(11) . . ?
C301 Fe3 C302 41.31(10) . . ?
C306 Fe3 C302 126.75(10) . . ?
C307 Fe3 C302 164.65(10) . . ?
C305 Fe3 C302 69.22(11) . . ?
C310 Fe3 C302 108.33(11) . . ?
C301 Fe3 C308 118.48(11) . . ?
C306 Fe3 C308 69.05(10) . . ?
C307 Fe3 C308 40.70(10) . . ?
C305 Fe3 C308 106.62(12) . . ?
C310 Fe3 C308 68.34(11) . . ?
C302 Fe3 C308 153.71(11) . . ?
C301 Fe3 C309 107.73(11) . . ?
C306 Fe3 C309 69.02(10) . . ?
C307 Fe3 C309 68.43(11) . . ?
C305 Fe3 C309 126.18(11) . . ?
C310 Fe3 C309 40.61(10) . . ?
C302 Fe3 C309 120.03(12) . . ?
C308 Fe3 C309 40.33(11) . . ?
C301 Fe3 C304 68.21(11) . . ?
C306 Fe3 C304 118.98(11) . . ?
C307 Fe3 C304 107.34(11) . . ?
C305 Fe3 C304 40.47(11) . . ?
C310 Fe3 C304 154.28(11) . . ?
C302 Fe3 C304 68.15(12) . . ?
C308 Fe3 C304 126.37(12) . . ?
C309 Fe3 C304 163.65(12) . . ?
C301 Fe3 C303 68.18(11) . . ?
C306 Fe3 C303 108.18(10) . . ?
C307 Fe3 C303 127.10(11) . . ?
C305 Fe3 C303 68.20(12) . . ?
C310 Fe3 C303 120.57(11) . . ?
C302 Fe3 C303 40.22(11) . . ?
C308 Fe3 C303 164.17(12) . . ?
C309 Fe3 C303 154.65(12) . . ?
C304 Fe3 C303 40.21(12) . . ?
C410 Fe4 C405 165.89(12) . . ?
C410 Fe4 C401 150.29(11) . . ?
C405 Fe4 C401 40.87(12) . . ?
C410 Fe4 C409 41.04(10) . . ?
C405 Fe4 C409 152.83(12) . . ?
C401 Fe4 C409 117.46(11) . . ?
C410 Fe4 C406 41.22(10) . . ?
C405 Fe4 C406 129.04(12) . . ?
C401 Fe4 C406 167.79(11) . . ?
C409 Fe4 C406 69.23(10) . . ?
C410 Fe4 C404 126.78(11) . . ?
C405 Fe4 C404 40.60(13) . . ?
C401 Fe4 C404 68.05(11) . . ?
C409 Fe4 C404 163.68(13) . . ?
C406 Fe4 C404 108.57(10) . . ?
C410 Fe4 C407 68.76(11) . . ?
C405 Fe4 C407 110.57(14) . . ?
C401 Fe4 C407 129.71(12) . . ?
C409 Fe4 C407 68.43(11) . . ?
C406 Fe4 C407 41.01(10) . . ?
C404 Fe4 C407 121.23(13) . . ?
C410 Fe4 C408 68.51(11) . . ?
C405 Fe4 C408 120.79(14) . . ?
C401 Fe4 C408 109.00(11) . . ?
C409 Fe4 C408 40.43(11) . . ?
C406 Fe4 C408 68.81(10) . . ?
C404 Fe4 C408 155.20(14) . . ?
C407 Fe4 C408 40.52(10) . . ?
C410 Fe4 C402 114.95(12) . . ?
C405 Fe4 C402 69.13(14) . . ?
C401 Fe4 C402 41.49(12) . . ?
C409 Fe4 C402 105.48(13) . . ?
C406 Fe4 C402 149.43(11) . . ?
C404 Fe4 C402 67.74(14) . . ?
C407 Fe4 C402 166.77(11) . . ?
C408 Fe4 C402 127.47(12) . . ?
C410 Fe4 C403 105.54(13) . . ?
C405 Fe4 C403 68.34(16) . . ?
C401 Fe4 C403 68.21(12) . . ?
C409 Fe4 C403 125.38(15) . . ?
C406 Fe4 C403 117.37(11) . . ?
C404 Fe4 C403 40.13(14) . . ?
C407 Fe4 C403 153.14(12) . . ?
C408 Fe4 C403 163.77(14) . . ?
C402 Fe4 C403 39.91(13) . . ?
C106 P1 C112 101.75(11) . . ?
C106 P1 C118 104.18(11) . . ?
C112 P1 C118 102.48(11) . . ?
C106 P1 Ag1 115.07(8) . . ?
C112 P1 Ag1 110.34(8) . . ?
C118 P1 Ag1 120.73(8) . . ?
C206 P2 C218 103.14(11) . . ?
C206 P2 C212 101.89(11) . . ?
C218 P2 C212 103.05(10) . . ?
C206 P2 Ag1 117.13(8) . . ?
C218 P2 Ag1 119.34(8) . . ?
C212 P2 Ag1 110.07(8) . . ?
C306 P3 C318 104.09(11) . . ?
C306 P3 C312 102.66(11) . . ?
C318 P3 C312 103.21(11) . . ?
C306 P3 Ag2 113.95(8) . . ?
C318 P3 Ag2 120.36(8) . . ?
C312 P3 Ag2 110.66(8) . . ?
C406 P4 C418 104.15(11) . . ?
C406 P4 C412 102.65(11) . . ?
C418 P4 C412 103.45(11) . . ?
C406 P4 Ag2 113.96(8) . . ?
C418 P4 Ag2 119.39(8) . . ?
C412 P4 Ag2 111.45(8) . . ?
C111 C101 C102 125.8(3) . . ?
C111 C101 C105 125.9(3) . . ?
C102 C101 C105 108.2(2) . . ?
C111 C101 Fe1 126.4(2) . . ?
C102 C101 Fe1 69.80(15) . . ?
C105 C101 Fe1 70.15(15) . . ?
C103 C102 C101 107.2(2) . . ?
C103 C102 Fe1 70.33(16) . . ?
C101 C102 Fe1 68.92(15) . . ?
C103 C102 H102 126.4 . . ?
C101 C102 H102 126.4 . . ?
Fe1 C102 H102 125.9 . . ?
C104 C103 C102 108.4(3) . . ?
C104 C103 Fe1 70.16(16) . . ?
C102 C103 Fe1 68.90(15) . . ?
C104 C103 H103 125.8 . . ?
C102 C103 H103 125.8 . . ?
Fe1 C103 H103 126.7 . . ?
C103 C104 C105 109.2(2) . . ?
C103 C104 Fe1 69.85(16) . . ?
C105 C104 Fe1 69.32(15) . . ?
C103 C104 H104 125.4 . . ?
C105 C104 H104 125.4 . . ?
Fe1 C104 H104 127.0 . . ?
C104 C105 C101 107.0(3) . . ?
C104 C105 Fe1 70.31(15) . . ?
C101 C105 Fe1 68.53(15) . . ?
C104 C105 H105 126.5 . . ?
C101 C105 H105 126.5 . . ?
Fe1 C105 H105 126.2 . . ?
C110 C106 C107 107.2(2) . . ?
C110 C106 P1 123.35(18) . . ?
C107 C106 P1 129.12(19) . . ?
C110 C106 Fe1 69.40(13) . . ?
C107 C106 Fe1 69.21(14) . . ?
P1 C106 Fe1 131.86(13) . . ?
C108 C107 C106 107.9(2) . . ?
C108 C107 Fe1 69.57(15) . . ?
C106 C107 Fe1 69.79(14) . . ?
C108 C107 H107 126.0 . . ?
C106 C107 H107 126.0 . . ?
Fe1 C107 H107 126.2 . . ?
C109 C108 C107 108.5(2) . . ?
C109 C108 Fe1 69.96(15) . . ?
C107 C108 Fe1 69.61(14) . . ?
C109 C108 H108 125.7 . . ?
C107 C108 H108 125.7 . . ?
Fe1 C108 H108 126.3 . . ?
C108 C109 C110 108.0(2) . . ?
C108 C109 Fe1 69.56(15) . . ?
C110 C109 Fe1 69.63(14) . . ?
C108 C109 H109 126.0 . . ?
C110 C109 H109 126.0 . . ?
Fe1 C109 H109 126.4 . . ?
C109 C110 C106 108.5(2) . . ?
C109 C110 Fe1 69.72(15) . . ?
C106 C110 Fe1 69.72(14) . . ?
C109 C110 H110 125.8 . . ?
C106 C110 H110 125.8 . . ?
Fe1 C110 H110 126.4 . . ?
N1 C111 C101 177.1(3) . . ?
C113 C112 C117 118.8(2) . . ?
C113 C112 P1 123.34(19) . . ?
C117 C112 P1 117.87(18) . . ?
C114 C113 C112 120.4(2) . . ?
C114 C113 H113 119.8 . . ?
C112 C113 H113 119.8 . . ?
C115 C114 C113 120.3(3) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C114 C115 C116 119.8(3) . . ?
C114 C115 H115 120.1 . . ?
C116 C115 H115 120.1 . . ?
C115 C116 C117 120.6(3) . . ?
C115 C116 H116 119.7 . . ?
C117 C116 H116 119.7 . . ?
C116 C117 C112 120.2(2) . . ?
C116 C117 H117 119.9 . . ?
C112 C117 H117 119.9 . . ?
C123 C118 C119 119.3(2) . . ?
C123 C118 P1 118.66(18) . . ?
C119 C118 P1 122.06(19) . . ?
C120 C119 C118 120.3(2) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 119.9(2) . . ?
C121 C120 H120 120.0 . . ?
C119 C120 H120 120.0 . . ?
C120 C121 C122 120.1(3) . . ?
C120 C121 H121 119.9 . . ?
C122 C121 H121 119.9 . . ?
C121 C122 C123 120.3(3) . . ?
C121 C122 H122 119.8 . . ?
C123 C122 H122 119.8 . . ?
C122 C123 C118 120.0(2) . . ?
C122 C123 H123 120.0 . . ?
C118 C123 H123 120.0 . . ?
C205 C201 C211 126.2(2) . . ?
C205 C201 C202 108.3(2) . . ?
C211 C201 C202 125.5(3) . . ?
C205 C201 Fe2 70.12(14) . . ?
C211 C201 Fe2 127.71(19) . . ?
C202 C201 Fe2 69.72(14) . . ?
C203 C202 C201 107.2(2) . . ?
C203 C202 Fe2 70.47(15) . . ?
C201 C202 Fe2 68.93(14) . . ?
C203 C202 H202 126.4 . . ?
C201 C202 H202 126.4 . . ?
Fe2 C202 H202 125.8 . . ?
C204 C203 C202 108.7(2) . . ?
C204 C203 Fe2 69.90(16) . . ?
C202 C203 Fe2 69.18(14) . . ?
C204 C203 H203 125.6 . . ?
C202 C203 H203 125.6 . . ?
Fe2 C203 H203 126.9 . . ?
C203 C204 C205 108.9(3) . . ?
C203 C204 Fe2 69.97(16) . . ?
C205 C204 Fe2 69.41(16) . . ?
C203 C204 H204 125.6 . . ?
C205 C204 H204 125.6 . . ?
Fe2 C204 H204 126.6 . . ?
C204 C205 C201 107.0(2) . . ?
C204 C205 Fe2 70.09(15) . . ?
C201 C205 Fe2 68.80(14) . . ?
C204 C205 H205 126.5 . . ?
C201 C205 H205 126.5 . . ?
Fe2 C205 H205 126.1 . . ?
C210 C206 C207 107.1(2) . . ?
C210 C206 P2 128.46(18) . . ?
C207 C206 P2 124.32(19) . . ?
C210 C206 Fe2 69.42(13) . . ?
C207 C206 Fe2 69.43(13) . . ?
P2 C206 Fe2 129.03(12) . . ?
C208 C207 C206 107.9(2) . . ?
C208 C207 Fe2 69.82(14) . . ?
C206 C207 Fe2 69.45(13) . . ?
C208 C207 H207 126.0 . . ?
C206 C207 H207 126.0 . . ?
Fe2 C207 H207 126.3 . . ?
C209 C208 C207 108.4(2) . . ?
C209 C208 Fe2 69.74(15) . . ?
C207 C208 Fe2 69.45(14) . . ?
C209 C208 H208 125.8 . . ?
C207 C208 H208 125.8 . . ?
Fe2 C208 H208 126.6 . . ?
C208 C209 C210 108.3(2) . . ?
C208 C209 Fe2 69.88(15) . . ?
C210 C209 Fe2 69.55(14) . . ?
C208 C209 H209 125.8 . . ?
C210 C209 H209 125.8 . . ?
Fe2 C209 H209 126.3 . . ?
C209 C210 C206 108.3(2) . . ?
C209 C210 Fe2 69.85(15) . . ?
C206 C210 Fe2 69.52(13) . . ?
C209 C210 H210 125.9 . . ?
C206 C210 H210 125.9 . . ?
Fe2 C210 H210 126.3 . . ?
N2 C211 C201 176.5(3) . . ?
C217 C212 C213 118.5(2) . . ?
C217 C212 P2 123.49(18) . . ?
C213 C212 P2 117.80(18) . . ?
C214 C213 C212 120.5(2) . . ?
C214 C213 H213 119.8 . . ?
C212 C213 H213 119.8 . . ?
C215 C214 C213 120.7(3) . . ?
C215 C214 H214 119.6 . . ?
C213 C214 H214 119.6 . . ?
C214 C215 C216 119.4(2) . . ?
C214 C215 H215 120.3 . . ?
C216 C215 H215 120.3 . . ?
C215 C216 C217 120.4(3) . . ?
C215 C216 H216 119.8 . . ?
C217 C216 H216 119.8 . . ?
C212 C217 C216 120.5(2) . . ?
C212 C217 H217 119.8 . . ?
C216 C217 H217 119.8 . . ?
C219 C218 C223 119.4(2) . . ?
C219 C218 P2 119.36(18) . . ?
C223 C218 P2 121.27(18) . . ?
C220 C219 C218 119.8(2) . . ?
C220 C219 H219 120.1 . . ?
C218 C219 H219 120.1 . . ?
C221 C220 C219 120.5(2) . . ?
C221 C220 H220 119.8 . . ?
C219 C220 H220 119.8 . . ?
C220 C221 C222 120.0(2) . . ?
C220 C221 H221 120.0 . . ?
C222 C221 H221 120.0 . . ?
C221 C222 C223 120.2(2) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 H222 119.9 . . ?
C222 C223 C218 120.1(2) . . ?
C222 C223 H223 120.0 . . ?
C218 C223 H223 120.0 . . ?
C311 C301 C305 126.3(3) . . ?
C311 C301 C302 125.7(3) . . ?
C305 C301 C302 108.0(2) . . ?
C311 C301 Fe3 128.1(2) . . ?
C305 C301 Fe3 69.73(15) . . ?
C302 C301 Fe3 69.78(14) . . ?
C303 C302 C301 107.1(3) . . ?
C303 C302 Fe3 70.21(16) . . ?
C301 C302 Fe3 68.91(15) . . ?
C303 C302 H302 126.5 . . ?
C301 C302 H302 126.5 . . ?
Fe3 C302 H302 126.0 . . ?
C302 C303 C304 108.9(2) . . ?
C302 C303 Fe3 69.58(15) . . ?
C304 C303 Fe3 69.69(16) . . ?
C302 C303 H303 125.6 . . ?
C304 C303 H303 125.6 . . ?
Fe3 C303 H303 126.8 . . ?
C303 C304 C305 108.7(3) . . ?
C303 C304 Fe3 70.10(16) . . ?
C305 C304 Fe3 69.48(16) . . ?
C303 C304 H304 125.6 . . ?
C305 C304 H304 125.6 . . ?
Fe3 C304 H304 126.4 . . ?
C304 C305 C301 107.2(2) . . ?
C304 C305 Fe3 70.06(16) . . ?
C301 C305 Fe3 69.21(15) . . ?
C304 C305 H305 126.4 . . ?
C301 C305 H305 126.4 . . ?
Fe3 C305 H305 125.9 . . ?
C310 C306 C307 106.9(2) . . ?
C310 C306 P3 130.09(19) . . ?
C307 C306 P3 123.05(18) . . ?
C310 C306 Fe3 69.57(14) . . ?
C307 C306 Fe3 69.39(13) . . ?
P3 C306 Fe3 126.89(13) . . ?
C308 C307 C306 108.1(2) . . ?
C308 C307 Fe3 70.01(15) . . ?
C306 C307 Fe3 69.27(13) . . ?
C308 C307 H307 125.9 . . ?
C306 C307 H307 125.9 . . ?
Fe3 C307 H307 126.4 . . ?
C309 C308 C307 108.4(2) . . ?
C309 C308 Fe3 69.84(15) . . ?
C307 C308 Fe3 69.30(14) . . ?
C309 C308 H308 125.8 . . ?
C307 C308 H308 125.8 . . ?
Fe3 C308 H308 126.6 . . ?
C308 C309 C310 108.5(2) . . ?
C308 C309 Fe3 69.83(15) . . ?
C310 C309 Fe3 69.49(14) . . ?
C308 C309 H309 125.8 . . ?
C310 C309 H309 125.8 . . ?
Fe3 C309 H309 126.5 . . ?
C309 C310 C306 108.2(2) . . ?
C309 C310 Fe3 69.90(15) . . ?
C306 C310 Fe3 69.14(14) . . ?
C309 C310 H310 125.9 . . ?
C306 C310 H310 125.9 . . ?
Fe3 C310 H310 126.6 . . ?
N3 C311 C301 176.2(4) . . ?
C317 C312 C313 118.0(3) . . ?
C317 C312 P3 123.5(2) . . ?
C313 C312 P3 118.2(2) . . ?
C312 C313 C314 120.4(3) . . ?
C312 C313 H313 119.8 . . ?
C314 C313 H313 119.8 . . ?
C315 C314 C313 121.0(3) . . ?
C315 C314 H314 119.5 . . ?
C313 C314 H314 119.5 . . ?
C316 C315 C314 118.9(3) . . ?
C316 C315 H315 120.5 . . ?
C314 C315 H315 120.5 . . ?
C315 C316 C317 120.9(3) . . ?
C315 C316 H316 119.5 . . ?
C317 C316 H316 119.5 . . ?
C312 C317 C316 120.7(3) . . ?
C312 C317 H317 119.7 . . ?
C316 C317 H317 119.7 . . ?
C323 C318 C319 119.2(2) . . ?
C323 C318 P3 121.97(19) . . ?
C319 C318 P3 118.83(19) . . ?
C320 C319 C318 120.1(2) . . ?
C320 C319 H319 120.0 . . ?
C318 C319 H319 120.0 . . ?
C321 C320 C319 120.3(3) . . ?
C321 C320 H320 119.8 . . ?
C319 C320 H320 119.8 . . ?
C320 C321 C322 120.0(3) . . ?
C320 C321 H321 120.0 . . ?
C322 C321 H321 120.0 . . ?
C321 C322 C323 120.1(3) . . ?
C321 C322 H322 120.0 . . ?
C323 C322 H322 120.0 . . ?
C322 C323 C318 120.2(2) . . ?
C322 C323 H323 119.9 . . ?
C318 C323 H323 119.9 . . ?
C405 C401 C411 128.6(3) . . ?
C405 C401 C402 108.0(3) . . ?
C411 C401 C402 123.2(3) . . ?
C405 C401 Fe4 69.54(16) . . ?
C411 C401 Fe4 128.9(2) . . ?
C402 C401 Fe4 70.27(16) . . ?
C403 C402 C401 107.2(3) . . ?
C403 C402 Fe4 70.65(19) . . ?
C401 C402 Fe4 68.24(16) . . ?
C403 C402 H402 126.4 . . ?
C401 C402 H402 126.4 . . ?
Fe4 C402 H402 126.3 . . ?
C402 C403 C404 108.2(3) . . ?
C402 C403 Fe4 69.44(18) . . ?
C404 C403 Fe4 68.93(18) . . ?
C402 C403 H403 125.9 . . ?
C404 C403 H403 125.9 . . ?
Fe4 C403 H403 127.3 . . ?
C403 C404 C405 109.2(3) . . ?
C403 C404 Fe4 70.94(18) . . ?
C405 C404 Fe4 69.04(16) . . ?
C403 C404 H404 125.4 . . ?
C405 C404 H404 125.4 . . ?
Fe4 C404 H404 126.2 . . ?
C404 C405 C401 107.3(3) . . ?
C404 C405 Fe4 70.36(17) . . ?
C401 C405 Fe4 69.59(16) . . ?
C404 C405 H405 126.3 . . ?
C401 C405 H405 126.3 . . ?
Fe4 C405 H405 125.3 . . ?
C410 C406 C407 106.8(2) . . ?
C410 C406 P4 123.29(18) . . ?
C407 C406 P4 129.8(2) . . ?
C410 C406 Fe4 68.68(14) . . ?
C407 C406 Fe4 69.85(15) . . ?
P4 C406 Fe4 127.45(13) . . ?
C408 C407 C406 108.4(2) . . ?
C408 C407 Fe4 69.99(16) . . ?
C406 C407 Fe4 69.14(15) . . ?
C408 C407 H407 125.8 . . ?
C406 C407 H407 125.8 . . ?
Fe4 C407 H407 126.6 . . ?
C409 C408 C407 108.1(2) . . ?
C409 C408 Fe4 68.87(15) . . ?
C407 C408 Fe4 69.49(15) . . ?
C409 C408 H408 125.9 . . ?
C407 C408 H408 125.9 . . ?
Fe4 C408 H408 127.3 . . ?
C408 C409 C410 108.2(2) . . ?
C408 C409 Fe4 70.70(15) . . ?
C410 C409 Fe4 69.06(14) . . ?
C408 C409 H409 125.9 . . ?
C410 C409 H409 125.9 . . ?
Fe4 C409 H409 125.9 . . ?
C409 C410 C406 108.5(2) . . ?
C409 C410 Fe4 69.90(15) . . ?
C406 C410 Fe4 70.10(14) . . ?
C409 C410 H410 125.8 . . ?
C406 C410 H410 125.8 . . ?
Fe4 C410 H410 125.8 . . ?
N4 C411 C401 176.5(3) . . ?
C413 C412 C417 118.3(2) . . ?
C413 C412 P4 117.88(19) . . ?
C417 C412 P4 123.48(19) . . ?
C414 C413 C412 120.5(3) . . ?
C414 C413 H413 119.8 . . ?
C412 C413 H413 119.8 . . ?
C415 C414 C413 120.7(3) . . ?
C415 C414 H414 119.6 . . ?
C413 C414 H414 119.6 . . ?
C416 C415 C414 119.6(3) . . ?
C416 C415 H415 120.2 . . ?
C414 C415 H415 120.2 . . ?
C415 C416 C417 120.3(3) . . ?
C415 C416 H416 119.8 . . ?
C417 C416 H416 119.8 . . ?
C416 C417 C412 120.5(3) . . ?
C416 C417 H417 119.7 . . ?
C412 C417 H417 119.7 . . ?
C419 C418 C423 120.7(2) . . ?
C419 C418 P4 118.47(18) . . ?
C423 C418 P4 120.76(15) . . ?
C420 C419 C418 120.1(2) . . ?
C420 C419 H419 120.0 . . ?
C418 C419 H419 120.0 . . ?
C421 C420 C419 120.2(2) . . ?
C421 C420 H420 119.9 . . ?
C419 C420 H420 119.9 . . ?
C420 C421 C422 119.7(2) . . ?
C420 C421 H421 120.1 . . ?
C422 C421 H421 120.1 . . ?
C421 C422 C423 121.5(2) . . ?
C421 C422 H422 119.2 . . ?
C423 C422 H422 119.2 . . ?
C422 C423 C418 117.71(16) . . ?
C422 C423 H423 121.1 . . ?
C418 C423 H423 121.1 . . ?
Cl2S C2S Cl1S 112.4 . . ?
Cl2S C2S H2S1 109.1 . . ?
Cl1S C2S H2S1 109.1 . . ?
Cl2S C2S H2S2 109.1 . . ?
Cl1S C2S H2S2 109.1 . . ?
H2S1 C2S H2S2 107.9 . . ?
Cl4S C1S Cl3S 112.4 . . ?
Cl4S C1S H1S1 109.1 . . ?
Cl3S C1S H1S1 109.1 . . ?
Cl4S C1S H1S2 109.1 . . ?
Cl3S C1S H1S2 109.1 . . ?
H1S1 C1S H1S2 107.9 . . ?
Cl6S C3S Cl5S 112.4 . . ?
Cl6S C3S H3S1 109.1 . . ?
Cl5S C3S H3S1 109.1 . . ?
Cl6S C3S H3S2 109.1 . . ?
Cl5S C3S H3S2 109.1 . . ?
H3S1 C3S H3S2 107.9 . . ?
Cl8S C4S Cl7S 112.4 . . ?
Cl8S C4S H4S1 109.1 . . ?
Cl7S C4S H4S1 109.1 . . ?
Cl8S C4S H4S2 109.1 . . ?
Cl7S C4S H4S2 109.1 . . ?
H4S1 C4S H4S2 107.9 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.049
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.078

# start Validation Reply Form

_vrf_PLAT411_ks168               
;
PROBLEM: Short Inter H...H Contact H421 .. H4S1 .. 1.98 Ang. 
RESPONSE: Short 'contacts' within the space accommodating
 the disordered solvent (dichloromethane).
;

_vrf_PLAT415_ks168               
;
PROBLEM: Short Inter D-H..H-X H120 .. H1S1 .. 1.90 Ang. 
PROBLEM: Short Inter D-H..H-X H222 .. H1S2 .. 1.91 Ang. 
PROBLEM: Short Inter D-H..H-X H321 .. H3S1 .. 1.97 Ang. 
RESPONSE: Short 'contacts' within the space accommodating
 the disordered solvent (dichloromethane).
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks243
_database_code_depnum_ccdc_archive 'CCDC 1470455'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Ag4 Br4 Fe4 N4 P4, 0.25(H2 O)'
_chemical_formula_sum            'C92 H72.50 Ag4 Br4 Fe4 N4 O0.25 P4'
_chemical_formula_weight         2336.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.4397(3)
_cell_length_b                   15.5216(3)
_cell_length_c                   20.1463(4)
_cell_angle_alpha                75.7950(10)
_cell_angle_beta                 84.5380(10)
_cell_angle_gamma                76.0150(10)
_cell_volume                     4244.44(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9768
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.49

_exptl_crystal_description       bar
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2293
_exptl_absorpt_coefficient_mu    3.573
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.296
_exptl_absorpt_correction_T_max  0.763

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            73683
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         27.50
_reflns_number_total             19433
_reflns_number_gt                16112
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0144P)²+1.8288P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19433
_refine_ls_number_parameters     1015
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0229
_refine_ls_wR_factor_ref         0.0431
_refine_ls_wR_factor_gt          0.0408
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.157841(11) 0.167586(11) 0.320263(8) 0.02394(4) Uani 1 1 d . . .
Br1 Br 0.271039(13) 0.259192(13) 0.227317(10) 0.02036(5) Uani 1 1 d . . .
Fe1 Fe -0.107662(19) 0.376958(18) 0.291162(14) 0.01962(6) Uani 1 1 d . . .
P1 P 0.05507(3) 0.23177(3) 0.40483(2) 0.01609(11) Uani 1 1 d . . .
N1 N -0.28160(18) 0.62990(15) 0.25225(11) 0.0573(7) Uani 1 1 d . . .
C101 C -0.13906(16) 0.50303(13) 0.22989(11) 0.0269(5) Uani 1 1 d . . .
C102 C -0.04478(16) 0.48406(15) 0.25458(12) 0.0333(6) Uani 1 1 d . . .
H102 H -0.0226 0.5168 0.2816 0.040 Uiso 1 1 calc R . .
C103 C 0.00875(16) 0.40801(15) 0.23139(12) 0.0355(6) Uani 1 1 d . . .
H103 H 0.0741 0.3805 0.2399 0.043 Uiso 1 1 calc R . .
C104 C -0.04994(17) 0.37890(15) 0.19336(11) 0.0337(6) Uani 1 1 d . . .
H104 H -0.0310 0.3287 0.1721 0.040 Uiso 1 1 calc R . .
C105 C -0.14220(16) 0.43741(14) 0.19223(10) 0.0273(5) Uani 1 1 d . . .
H105 H -0.1960 0.4335 0.1704 0.033 Uiso 1 1 calc R . .
C106 C -0.06504(13) 0.28087(13) 0.37800(10) 0.0185(4) Uani 1 1 d . . .
C107 C -0.11277(14) 0.24598(13) 0.33488(10) 0.0227(5) Uani 1 1 d . . .
H107 H -0.0861 0.1949 0.3156 0.027 Uiso 1 1 calc R . .
C108 C -0.20668(14) 0.30071(14) 0.32582(11) 0.0281(5) Uani 1 1 d . . .
H108 H -0.2539 0.2925 0.2997 0.034 Uiso 1 1 calc R . .
C109 C -0.21792(15) 0.36967(15) 0.36248(11) 0.0307(5) Uani 1 1 d . . .
H109 H -0.2740 0.4159 0.3650 0.037 Uiso 1 1 calc R . .
C110 C -0.13142(14) 0.35831(14) 0.39481(10) 0.0254(5) Uani 1 1 d . . .
H110 H -0.1195 0.3954 0.4227 0.030 Uiso 1 1 calc R . .
C111 C -0.21850(18) 0.57361(15) 0.24297(12) 0.0361(6) Uani 1 1 d . . .
C112 C 0.04126(13) 0.14686(12) 0.48316(9) 0.0155(4) Uani 1 1 d . . .
C113 C -0.04785(14) 0.13527(14) 0.51174(10) 0.0217(4) Uani 1 1 d . . .
H113 H -0.1044 0.1748 0.4919 0.026 Uiso 1 1 calc R . .
C114 C -0.05382(15) 0.06577(14) 0.56926(10) 0.0246(5) Uani 1 1 d . . .
H114 H -0.1146 0.0568 0.5879 0.030 Uiso 1 1 calc R . .
C115 C 0.02754(16) 0.00984(13) 0.59944(10) 0.0251(5) Uani 1 1 d . . .
H115 H 0.0228 -0.0363 0.6396 0.030 Uiso 1 1 calc R . .
C116 C 0.11650(15) 0.02085(14) 0.57120(10) 0.0247(5) Uani 1 1 d . . .
H116 H 0.1728 -0.0179 0.5919 0.030 Uiso 1 1 calc R . .
C117 C 0.12309(14) 0.08821(13) 0.51294(10) 0.0202(4) Uani 1 1 d . . .
H117 H 0.1841 0.0946 0.4930 0.024 Uiso 1 1 calc R . .
C118 C 0.08806(13) 0.32201(13) 0.43456(10) 0.0200(4) Uani 1 1 d . . .
C119 C 0.06737(15) 0.33327(14) 0.50119(11) 0.0282(5) Uani 1 1 d . . .
H119 H 0.0332 0.2944 0.5324 0.034 Uiso 1 1 calc R . .
C120 C 0.09637(17) 0.40085(16) 0.52228(12) 0.0363(6) Uani 1 1 d . . .
H120 H 0.0828 0.4076 0.5681 0.044 Uiso 1 1 calc R . .
C121 C 0.14492(17) 0.45841(16) 0.47694(13) 0.0384(6) Uani 1 1 d . . .
H121 H 0.1648 0.5047 0.4914 0.046 Uiso 1 1 calc R . .
C122 C 0.16438(16) 0.44862(16) 0.41076(13) 0.0352(6) Uani 1 1 d . . .
H122 H 0.1967 0.4890 0.3794 0.042 Uiso 1 1 calc R . .
C123 C 0.13716(14) 0.38029(14) 0.38944(11) 0.0273(5) Uani 1 1 d . . .
H123 H 0.1521 0.3733 0.3438 0.033 Uiso 1 1 calc R . .
Ag2 Ag 0.225435(11) 0.170997(11) 0.133936(8) 0.02595(4) Uani 1 1 d . . .
Br2 Br 0.077529(13) 0.121681(13) 0.218202(10) 0.01946(4) Uani 1 1 d . . .
Fe2 Fe 0.39811(2) 0.35375(2) 0.000586(15) 0.02243(7) Uani 1 1 d . . .
P2 P 0.21124(4) 0.24442(4) 0.01443(3) 0.01888(11) Uani 1 1 d . . .
N2 N 0.63975(16) 0.42420(16) -0.10234(11) 0.0493(6) Uani 1 1 d . . .
C201 C 0.54166(14) 0.33871(15) -0.00719(12) 0.0290(5) Uani 1 1 d . . .
C202 C 0.51695(16) 0.25269(16) -0.00124(15) 0.0414(6) Uani 1 1 d . . .
H202 H 0.5314 0.2156 -0.0337 0.050 Uiso 1 1 calc R . .
C203 C 0.46703(16) 0.23429(18) 0.06230(14) 0.0470(7) Uani 1 1 d . . .
H203 H 0.4428 0.1812 0.0805 0.056 Uiso 1 1 calc R . .
C204 C 0.45857(17) 0.3066(2) 0.09472(13) 0.0484(8) Uani 1 1 d . . .
H204 H 0.4270 0.3109 0.1378 0.058 Uiso 1 1 calc R . .
C205 C 0.50466(15) 0.37109(17) 0.05262(11) 0.0331(5) Uani 1 1 d . . .
H205 H 0.5103 0.4265 0.0622 0.040 Uiso 1 1 calc R . .
C206 C 0.26559(13) 0.34047(14) -0.01660(10) 0.0213(4) Uani 1 1 d . . .
C207 C 0.25865(14) 0.41217(15) 0.01750(12) 0.0280(5) Uani 1 1 d . . .
H207 H 0.2284 0.4153 0.0611 0.034 Uiso 1 1 calc R . .
C208 C 0.30494(15) 0.47824(15) -0.02506(13) 0.0337(6) Uani 1 1 d . . .
H208 H 0.3102 0.5335 -0.0151 0.040 Uiso 1 1 calc R . .
C209 C 0.34150(16) 0.44751(16) -0.08443(12) 0.0333(6) Uani 1 1 d . . .
H209 H 0.3763 0.4783 -0.1213 0.040 Uiso 1 1 calc R . .
C210 C 0.31781(15) 0.36281(15) -0.08015(10) 0.0284(5) Uani 1 1 d . . .
H210 H 0.3337 0.3272 -0.1135 0.034 Uiso 1 1 calc R . .
C211 C 0.59480(16) 0.38480(16) -0.06162(12) 0.0331(5) Uani 1 1 d . . .
C212 C 0.08820(13) 0.29243(14) -0.01152(10) 0.0199(4) Uani 1 1 d . . .
C213 C 0.01979(15) 0.24348(15) 0.01688(11) 0.0303(5) Uani 1 1 d . . .
H213 H 0.0374 0.1874 0.0498 0.036 Uiso 1 1 calc R . .
C214 C -0.07427(16) 0.27604(17) -0.00251(12) 0.0377(6) Uani 1 1 d . . .
H214 H -0.1203 0.2413 0.0164 0.045 Uiso 1 1 calc R . .
C215 C -0.10147(15) 0.35797(17) -0.04880(12) 0.0340(6) Uani 1 1 d . . .
H215 H -0.1660 0.3799 -0.0618 0.041 Uiso 1 1 calc R . .
C216 C -0.03462(16) 0.40784(17) -0.07604(12) 0.0387(6) Uani 1 1 d . . .
H216 H -0.0532 0.4649 -0.1076 0.046 Uiso 1 1 calc R . .
C217 C 0.05981(15) 0.37542(15) -0.05776(11) 0.0323(5) Uani 1 1 d . . .
H217 H 0.1055 0.4104 -0.0771 0.039 Uiso 1 1 calc R . .
C218 C 0.26350(14) 0.16965(14) -0.04304(10) 0.0208(4) Uani 1 1 d . . .
C219 C 0.34074(15) 0.09830(15) -0.02173(11) 0.0304(5) Uani 1 1 d . . .
H219 H 0.3635 0.0877 0.0230 0.037 Uiso 1 1 calc R . .
C220 C 0.38519(16) 0.04234(17) -0.06475(12) 0.0368(6) Uani 1 1 d . . .
H220 H 0.4391 -0.0055 -0.0499 0.044 Uiso 1 1 calc R . .
C221 C 0.35169(17) 0.05570(17) -0.12894(12) 0.0356(6) Uani 1 1 d . . .
H221 H 0.3822 0.0172 -0.1584 0.043 Uiso 1 1 calc R . .
C222 C 0.27402(17) 0.12489(17) -0.15017(12) 0.0390(6) Uani 1 1 d . . .
H222 H 0.2504 0.1337 -0.1943 0.047 Uiso 1 1 calc R . .
C223 C 0.22957(16) 0.18220(16) -0.10779(11) 0.0325(5) Uani 1 1 d . . .
H223 H 0.1759 0.2301 -0.1231 0.039 Uiso 1 1 calc R . .
Ag3 Ag 0.228520(11) -0.031478(11) 0.253191(8) 0.02504(4) Uani 1 1 d . . .
Br3 Br 0.378768(14) 0.022110(14) 0.167545(10) 0.02212(5) Uani 1 1 d . . .
Fe3 Fe 0.34267(2) -0.321898(19) 0.320504(15) 0.02355(7) Uani 1 1 d . . .
P3 P 0.19877(4) -0.15270(3) 0.20906(3) 0.01921(11) Uani 1 1 d . . .
N3 N 0.58944(15) -0.44562(13) 0.42359(11) 0.0409(5) Uani 1 1 d . . .
C301 C 0.41293(15) -0.35988(14) 0.40908(11) 0.0260(5) Uani 1 1 d . . .
C302 C 0.33445(16) -0.40295(15) 0.41641(11) 0.0314(5) Uani 1 1 d . . .
H302 H 0.3381 -0.4668 0.4272 0.038 Uiso 1 1 calc R . .
C303 C 0.25026(17) -0.33323(15) 0.40472(11) 0.0331(5) Uani 1 1 d . . .
H303 H 0.1872 -0.3422 0.4066 0.040 Uiso 1 1 calc R . .
C304 C 0.27573(16) -0.24783(15) 0.38980(11) 0.0295(5) Uani 1 1 d . . .
H304 H 0.2326 -0.1898 0.3800 0.035 Uiso 1 1 calc R . .
C305 C 0.37585(16) -0.26311(14) 0.39199(10) 0.0273(5) Uani 1 1 d . . .
H305 H 0.4120 -0.2176 0.3837 0.033 Uiso 1 1 calc R . .
C306 C 0.29170(14) -0.25601(14) 0.22588(10) 0.0235(5) Uani 1 1 d . . .
C307 C 0.39088(15) -0.25695(16) 0.22773(11) 0.0307(5) Uani 1 1 d . . .
H307 H 0.4177 -0.2049 0.2194 0.037 Uiso 1 1 calc R . .
C308 C 0.44200(17) -0.34934(17) 0.24415(12) 0.0404(6) Uani 1 1 d . . .
H308 H 0.5092 -0.3699 0.2484 0.048 Uiso 1 1 calc R . .
C309 C 0.37599(19) -0.40540(17) 0.25303(13) 0.0435(7) Uani 1 1 d . . .
H309 H 0.3912 -0.4702 0.2647 0.052 Uiso 1 1 calc R . .
C310 C 0.28307(17) -0.34884(15) 0.24165(12) 0.0346(6) Uani 1 1 d . . .
H310 H 0.2255 -0.3690 0.2441 0.042 Uiso 1 1 calc R . .
C311 C 0.51138(17) -0.40686(15) 0.41613(11) 0.0296(5) Uani 1 1 d . . .
C312 C 0.19297(14) -0.11901(13) 0.11578(10) 0.0211(4) Uani 1 1 d . . .
C313 C 0.25148(15) -0.16751(16) 0.07295(11) 0.0313(5) Uani 1 1 d . . .
H313 H 0.2963 -0.2220 0.0917 0.038 Uiso 1 1 calc R . .
C314 C 0.24499(16) -0.13669(17) 0.00202(12) 0.0367(6) Uani 1 1 d . . .
H314 H 0.2856 -0.1701 -0.0274 0.044 Uiso 1 1 calc R . .
C315 C 0.18023(17) -0.05830(17) -0.02519(12) 0.0372(6) Uani 1 1 d . . .
H315 H 0.1759 -0.0376 -0.0735 0.045 Uiso 1 1 calc R . .
C316 C 0.12169(19) -0.00956(16) 0.01698(12) 0.0409(6) Uani 1 1 d . . .
H316 H 0.0765 0.0445 -0.0021 0.049 Uiso 1 1 calc R . .
C317 C 0.12843(17) -0.03918(15) 0.08751(12) 0.0358(6) Uani 1 1 d . . .
H317 H 0.0887 -0.0046 0.1166 0.043 Uiso 1 1 calc R . .
C318 C 0.08884(14) -0.19212(13) 0.23535(10) 0.0200(4) Uani 1 1 d . . .
C319 C 0.05731(15) -0.24675(14) 0.20088(11) 0.0259(5) Uani 1 1 d . . .
H319 H 0.0930 -0.2637 0.1622 0.031 Uiso 1 1 calc R . .
C320 C -0.02565(16) -0.27626(15) 0.22284(12) 0.0327(5) Uani 1 1 d . . .
H320 H -0.0460 -0.3146 0.1998 0.039 Uiso 1 1 calc R . .
C321 C -0.07947(17) -0.25026(16) 0.27843(12) 0.0365(6) Uani 1 1 d . . .
H321 H -0.1368 -0.2703 0.2932 0.044 Uiso 1 1 calc R . .
C322 C -0.04955(17) -0.19537(17) 0.31200(12) 0.0363(6) Uani 1 1 d . . .
H322 H -0.0863 -0.1773 0.3500 0.044 Uiso 1 1 calc R . .
C323 C 0.03438(15) -0.16628(15) 0.29054(11) 0.0285(5) Uani 1 1 d . . .
H323 H 0.0546 -0.1283 0.3140 0.034 Uiso 1 1 calc R . .
Ag4 Ag 0.406391(11) 0.103486(11) 0.267240(8) 0.02514(4) Uani 1 1 d . . .
Br4 Br 0.289162(13) 0.005610(13) 0.362526(10) 0.01886(4) Uani 1 1 d . . .
Fe4 Fe 0.517122(19) 0.233720(18) 0.408192(14) 0.01708(6) Uani 1 1 d . . .
P4 P 0.56207(3) 0.06737(3) 0.31304(3) 0.01563(10) Uani 1 1 d . . .
N4 N 0.60544(16) 0.41838(15) 0.23720(12) 0.0531(6) Uani 1 1 d . . .
C401 C 0.50055(14) 0.35687(13) 0.33933(11) 0.0240(5) Uani 1 1 d . . .
C402 C 0.42621(15) 0.31374(14) 0.33356(12) 0.0305(5) Uani 1 1 d . . .
H402 H 0.4124 0.2973 0.2938 0.037 Uiso 1 1 calc R . .
C403 C 0.37707(15) 0.29990(15) 0.39723(14) 0.0369(6) Uani 1 1 d . . .
H403 H 0.3238 0.2723 0.4080 0.044 Uiso 1 1 calc R . .
C404 C 0.41966(17) 0.33364(15) 0.44266(13) 0.0371(6) Uani 1 1 d . . .
H404 H 0.3996 0.3329 0.4891 0.044 Uiso 1 1 calc R . .
C405 C 0.49694(16) 0.36860(14) 0.40776(11) 0.0286(5) Uani 1 1 d . . .
H405 H 0.5386 0.3949 0.4262 0.034 Uiso 1 1 calc R . .
C406 C 0.57432(13) 0.10896(12) 0.38717(9) 0.0159(4) Uani 1 1 d . . .
C407 C 0.51280(14) 0.10118(13) 0.44708(10) 0.0202(4) Uani 1 1 d . . .
H407 H 0.4569 0.0777 0.4531 0.024 Uiso 1 1 calc R . .
C408 C 0.54970(15) 0.13462(14) 0.49592(10) 0.0249(5) Uani 1 1 d . . .
H408 H 0.5232 0.1367 0.5407 0.030 Uiso 1 1 calc R . .
C409 C 0.63303(14) 0.16453(14) 0.46660(10) 0.0232(5) Uani 1 1 d . . .
H409 H 0.6716 0.1907 0.4880 0.028 Uiso 1 1 calc R . .
C410 C 0.64859(13) 0.14854(12) 0.39999(10) 0.0171(4) Uani 1 1 d . . .
H410 H 0.6998 0.1618 0.3689 0.021 Uiso 1 1 calc R . .
C411 C 0.56091(16) 0.38977(15) 0.28354(12) 0.0324(5) Uani 1 1 d . . .
C412 C 0.60464(13) -0.05571(12) 0.34358(10) 0.0164(4) Uani 1 1 d . . .
C413 C 0.66632(14) -0.09403(13) 0.39749(10) 0.0211(4) Uani 1 1 d . . .
H413 H 0.6846 -0.0558 0.4218 0.025 Uiso 1 1 calc R . .
C414 C 0.70120(14) -0.18783(14) 0.41595(11) 0.0267(5) Uani 1 1 d . . .
H414 H 0.7433 -0.2136 0.4528 0.032 Uiso 1 1 calc R . .
C415 C 0.67489(15) -0.24361(14) 0.38104(11) 0.0281(5) Uani 1 1 d . . .
H415 H 0.6999 -0.3077 0.3932 0.034 Uiso 1 1 calc R . .
C416 C 0.61226(16) -0.20664(14) 0.32850(11) 0.0291(5) Uani 1 1 d . . .
H416 H 0.5935 -0.2454 0.3050 0.035 Uiso 1 1 calc R . .
C417 C 0.57644(14) -0.11267(14) 0.30980(10) 0.0227(4) Uani 1 1 d . . .
H417 H 0.5327 -0.0875 0.2739 0.027 Uiso 1 1 calc R . .
C418 C 0.66000(13) 0.10227(13) 0.25685(9) 0.0181(4) Uani 1 1 d . . .
C419 C 0.64145(16) 0.18836(15) 0.21285(10) 0.0273(5) Uani 1 1 d . . .
H419 H 0.5781 0.2246 0.2097 0.033 Uiso 1 1 calc R . .
C420 C 0.71490(18) 0.22170(17) 0.17344(12) 0.0388(6) Uani 1 1 d . . .
H420 H 0.7018 0.2807 0.1437 0.047 Uiso 1 1 calc R . .
C421 C 0.80681(17) 0.16928(18) 0.17747(12) 0.0373(6) Uani 1 1 d . . .
H421 H 0.8572 0.1925 0.1510 0.045 Uiso 1 1 calc R . .
C422 C 0.82577(16) 0.08311(17) 0.21989(11) 0.0340(6) Uani 1 1 d . . .
H422 H 0.8890 0.0465 0.2220 0.041 Uiso 1 1 calc R . .
C423 C 0.75257(14) 0.05011(15) 0.25934(10) 0.0251(5) Uani 1 1 d . . .
H423 H 0.7661 -0.0092 0.2886 0.030 Uiso 1 1 calc R . .
O1W O 0.23539(14) 0.47333(15) 0.19665(10) 0.123(4) Uani 0.25 1 d PR . .
H1W H 0.2509 0.4167 0.2013 0.148 Uiso 0.25 1 d PR . .
H2W H 0.2754 0.4994 0.1680 0.148 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.3946(5) . ?
Ag1 Br1 2.7265(2) . ?
Ag1 Br4 2.7557(2) . ?
Ag1 Br2 2.7663(3) . ?
Br1 Ag4 2.7148(2) . ?
Br1 Ag2 2.7897(3) . ?
Fe1 C101 2.0127(19) . ?
Fe1 C107 2.0238(19) . ?
Fe1 C102 2.033(2) . ?
Fe1 C106 2.0358(18) . ?
Fe1 C105 2.036(2) . ?
Fe1 C108 2.038(2) . ?
Fe1 C110 2.044(2) . ?
Fe1 C109 2.045(2) . ?
Fe1 C103 2.057(2) . ?
Fe1 C104 2.061(2) . ?
P1 C106 1.7941(19) . ?
P1 C112 1.8202(18) . ?
P1 C118 1.827(2) . ?
N1 C111 1.137(3) . ?
C101 C105 1.422(3) . ?
C101 C102 1.432(3) . ?
C101 C111 1.436(3) . ?
C102 C103 1.404(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.410(3) . ?
C103 H103 0.9500 . ?
C104 C105 1.418(3) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.431(3) . ?
C106 C110 1.435(3) . ?
C107 C108 1.417(3) . ?
C107 H107 0.9500 . ?
C108 C109 1.414(3) . ?
C108 H108 0.9500 . ?
C109 C110 1.417(3) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C117 1.390(3) . ?
C112 C113 1.393(3) . ?
C113 C114 1.388(3) . ?
C113 H113 0.9500 . ?
C114 C115 1.374(3) . ?
C114 H114 0.9500 . ?
C115 C116 1.386(3) . ?
C115 H115 0.9500 . ?
C116 C117 1.380(3) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.390(3) . ?
C118 C119 1.391(3) . ?
C119 C120 1.386(3) . ?
C119 H119 0.9500 . ?
C120 C121 1.380(3) . ?
C120 H120 0.9500 . ?
C121 C122 1.374(3) . ?
C121 H121 0.9500 . ?
C122 C123 1.386(3) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Ag2 P2 2.4024(5) . ?
Ag2 Br2 2.7370(2) . ?
Ag2 Br3 2.7831(3) . ?
Br2 Ag3 2.8048(2) . ?
Fe2 C201 2.024(2) . ?
Fe2 C202 2.030(2) . ?
Fe2 C207 2.033(2) . ?
Fe2 C206 2.0435(19) . ?
Fe2 C210 2.044(2) . ?
Fe2 C205 2.045(2) . ?
Fe2 C203 2.046(2) . ?
Fe2 C209 2.046(2) . ?
Fe2 C208 2.048(2) . ?
Fe2 C204 2.054(2) . ?
P2 C206 1.801(2) . ?
P2 C218 1.824(2) . ?
P2 C212 1.8251(19) . ?
N2 C211 1.146(3) . ?
C201 C211 1.422(3) . ?
C201 C205 1.427(3) . ?
C201 C202 1.438(3) . ?
C202 C203 1.409(4) . ?
C202 H202 0.9500 . ?
C203 C204 1.407(4) . ?
C203 H203 0.9500 . ?
C204 C205 1.401(3) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.424(3) . ?
C206 C210 1.433(3) . ?
C207 C208 1.423(3) . ?
C207 H207 0.9500 . ?
C208 C209 1.405(3) . ?
C208 H208 0.9500 . ?
C209 C210 1.417(3) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C213 1.387(3) . ?
C212 C217 1.387(3) . ?
C213 C214 1.387(3) . ?
C213 H213 0.9500 . ?
C214 C215 1.374(3) . ?
C214 H214 0.9500 . ?
C215 C216 1.373(3) . ?
C215 H215 0.9500 . ?
C216 C217 1.386(3) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.384(3) . ?
C218 C223 1.389(3) . ?
C219 C220 1.383(3) . ?
C219 H219 0.9500 . ?
C220 C221 1.374(3) . ?
C220 H220 0.9500 . ?
C221 C222 1.370(3) . ?
C221 H221 0.9500 . ?
C222 C223 1.387(3) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
Ag3 P3 2.4082(5) . ?
Ag3 Br4 2.6801(3) . ?
Ag3 Br3 2.7984(3) . ?
Br3 Ag4 2.7257(3) . ?
Fe3 C301 2.025(2) . ?
Fe3 C305 2.031(2) . ?
Fe3 C307 2.040(2) . ?
Fe3 C302 2.041(2) . ?
Fe3 C306 2.042(2) . ?
Fe3 C309 2.049(2) . ?
Fe3 C304 2.049(2) . ?
Fe3 C310 2.049(2) . ?
Fe3 C308 2.052(2) . ?
Fe3 C303 2.056(2) . ?
P3 C306 1.807(2) . ?
P3 C318 1.824(2) . ?
P3 C312 1.827(2) . ?
N3 C311 1.147(3) . ?
C301 C302 1.428(3) . ?
C301 C305 1.433(3) . ?
C301 C311 1.435(3) . ?
C302 C303 1.414(3) . ?
C302 H302 0.9500 . ?
C303 C304 1.415(3) . ?
C303 H303 0.9500 . ?
C304 C305 1.410(3) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 C310 1.431(3) . ?
C306 C307 1.433(3) . ?
C307 C308 1.419(3) . ?
C307 H307 0.9500 . ?
C308 C309 1.411(4) . ?
C308 H308 0.9500 . ?
C309 C310 1.419(3) . ?
C309 H309 0.9500 . ?
C310 H310 0.9500 . ?
C312 C313 1.378(3) . ?
C312 C317 1.387(3) . ?
C313 C314 1.396(3) . ?
C313 H313 0.9500 . ?
C314 C315 1.370(3) . ?
C314 H314 0.9500 . ?
C315 C316 1.370(3) . ?
C315 H315 0.9500 . ?
C316 C317 1.387(3) . ?
C316 H316 0.9500 . ?
C317 H317 0.9500 . ?
C318 C323 1.384(3) . ?
C318 C319 1.394(3) . ?
C319 C320 1.380(3) . ?
C319 H319 0.9500 . ?
C320 C321 1.388(3) . ?
C320 H320 0.9500 . ?
C321 C322 1.373(3) . ?
C321 H321 0.9500 . ?
C322 C323 1.389(3) . ?
C322 H322 0.9500 . ?
C323 H323 0.9500 . ?
Ag4 P4 2.3980(5) . ?
Ag4 Br4 2.8375(2) . ?
Fe4 C407 2.0277(19) . ?
Fe4 C404 2.038(2) . ?
Fe4 C403 2.040(2) . ?
Fe4 C405 2.041(2) . ?
Fe4 C406 2.0431(18) . ?
Fe4 C401 2.0435(19) . ?
Fe4 C408 2.046(2) . ?
Fe4 C402 2.049(2) . ?
Fe4 C410 2.0527(18) . ?
Fe4 C409 2.056(2) . ?
P4 C406 1.805(2) . ?
P4 C412 1.8257(19) . ?
P4 C418 1.8273(19) . ?
N4 C411 1.141(3) . ?
C401 C402 1.422(3) . ?
C401 C411 1.425(3) . ?
C401 C405 1.429(3) . ?
C402 C403 1.400(3) . ?
C402 H402 0.9500 . ?
C403 C404 1.410(4) . ?
C403 H403 0.9500 . ?
C404 C405 1.411(3) . ?
C404 H404 0.9500 . ?
C405 H405 0.9500 . ?
C406 C407 1.427(3) . ?
C406 C410 1.429(3) . ?
C407 C408 1.416(3) . ?
C407 H407 0.9500 . ?
C408 C409 1.419(3) . ?
C408 H408 0.9500 . ?
C409 C410 1.411(3) . ?
C409 H409 0.9500 . ?
C410 H410 0.9500 . ?
C412 C417 1.390(3) . ?
C412 C413 1.392(3) . ?
C413 C414 1.388(3) . ?
C413 H413 0.9500 . ?
C414 C415 1.377(3) . ?
C414 H414 0.9500 . ?
C415 C416 1.379(3) . ?
C415 H415 0.9500 . ?
C416 C417 1.393(3) . ?
C416 H416 0.9500 . ?
C417 H417 0.9500 . ?
C418 C423 1.384(3) . ?
C418 C419 1.391(3) . ?
C419 C420 1.388(3) . ?
C419 H419 0.9500 . ?
C420 C421 1.377(3) . ?
C420 H420 0.9500 . ?
C421 C422 1.379(3) . ?
C421 H421 0.9500 . ?
C422 C423 1.383(3) . ?
C422 H422 0.9500 . ?
C423 H423 0.9500 . ?
O1W H1W 0.8373 . ?
O1W H2W 0.8758 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 Br1 123.985(14) . . ?
P1 Ag1 Br4 118.665(13) . . ?
Br1 Ag1 Br4 98.915(7) . . ?
P1 Ag1 Br2 119.022(14) . . ?
Br1 Ag1 Br2 91.836(7) . . ?
Br4 Ag1 Br2 98.491(8) . . ?
Ag4 Br1 Ag1 83.304(7) . . ?
Ag4 Br1 Ag2 84.761(7) . . ?
Ag1 Br1 Ag2 86.459(7) . . ?
C101 Fe1 C107 160.30(9) . . ?
C101 Fe1 C102 41.46(9) . . ?
C107 Fe1 C102 156.17(9) . . ?
C101 Fe1 C106 156.54(9) . . ?
C107 Fe1 C106 41.28(8) . . ?
C102 Fe1 C106 122.09(9) . . ?
C101 Fe1 C105 41.12(9) . . ?
C107 Fe1 C105 122.74(9) . . ?
C102 Fe1 C105 69.32(9) . . ?
C106 Fe1 C105 161.94(8) . . ?
C101 Fe1 C108 123.16(9) . . ?
C107 Fe1 C108 40.84(8) . . ?
C102 Fe1 C108 162.65(9) . . ?
C106 Fe1 C108 69.03(8) . . ?
C105 Fe1 C108 103.84(9) . . ?
C101 Fe1 C110 120.35(9) . . ?
C107 Fe1 C110 69.05(9) . . ?
C102 Fe1 C110 110.05(9) . . ?
C106 Fe1 C110 41.19(8) . . ?
C105 Fe1 C110 153.27(8) . . ?
C108 Fe1 C110 68.51(9) . . ?
C101 Fe1 C109 106.43(9) . . ?
C107 Fe1 C109 68.57(9) . . ?
C102 Fe1 C109 127.21(10) . . ?
C106 Fe1 C109 68.82(8) . . ?
C105 Fe1 C109 117.19(9) . . ?
C108 Fe1 C109 40.51(9) . . ?
C110 Fe1 C109 40.54(8) . . ?
C101 Fe1 C103 68.16(9) . . ?
C107 Fe1 C103 121.02(9) . . ?
C102 Fe1 C103 40.14(9) . . ?
C106 Fe1 C103 110.53(8) . . ?
C105 Fe1 C103 68.09(9) . . ?
C108 Fe1 C103 153.58(10) . . ?
C110 Fe1 C103 129.66(9) . . ?
C109 Fe1 C103 165.72(10) . . ?
C101 Fe1 C104 68.27(9) . . ?
C107 Fe1 C104 106.65(9) . . ?
C102 Fe1 C104 68.11(10) . . ?
C106 Fe1 C104 126.87(8) . . ?
C105 Fe1 C104 40.49(8) . . ?
C108 Fe1 C104 117.67(10) . . ?
C110 Fe1 C104 165.84(9) . . ?
C109 Fe1 C104 151.87(10) . . ?
C103 Fe1 C104 40.05(10) . . ?
C106 P1 C112 103.75(9) . . ?
C106 P1 C118 103.75(9) . . ?
C112 P1 C118 104.03(9) . . ?
C106 P1 Ag1 113.35(7) . . ?
C112 P1 Ag1 112.61(6) . . ?
C118 P1 Ag1 117.89(6) . . ?
C105 C101 C102 108.34(19) . . ?
C105 C101 C111 125.3(2) . . ?
C102 C101 C111 126.3(2) . . ?
C105 C101 Fe1 70.33(11) . . ?
C102 C101 Fe1 70.02(12) . . ?
C111 C101 Fe1 123.47(16) . . ?
C103 C102 C101 107.1(2) . . ?
C103 C102 Fe1 70.84(13) . . ?
C101 C102 Fe1 68.52(12) . . ?
C103 C102 H102 126.5 . . ?
C101 C102 H102 126.5 . . ?
Fe1 C102 H102 125.7 . . ?
C102 C103 C104 109.1(2) . . ?
C102 C103 Fe1 69.02(12) . . ?
C104 C103 Fe1 70.15(13) . . ?
C102 C103 H103 125.4 . . ?
C104 C103 H103 125.4 . . ?
Fe1 C103 H103 127.0 . . ?
C103 C104 C105 108.3(2) . . ?
C103 C104 Fe1 69.80(13) . . ?
C105 C104 Fe1 68.82(12) . . ?
C103 C104 H104 125.9 . . ?
C105 C104 H104 125.9 . . ?
Fe1 C104 H104 127.1 . . ?
C104 C105 C101 107.2(2) . . ?
C104 C105 Fe1 70.69(12) . . ?
C101 C105 Fe1 68.54(11) . . ?
C104 C105 H105 126.4 . . ?
C101 C105 H105 126.4 . . ?
Fe1 C105 H105 125.9 . . ?
C107 C106 C110 107.09(17) . . ?
C107 C106 P1 124.12(15) . . ?
C110 C106 P1 128.78(16) . . ?
C107 C106 Fe1 68.91(11) . . ?
C110 C106 Fe1 69.70(11) . . ?
P1 C106 Fe1 127.17(10) . . ?
C108 C107 C106 108.28(18) . . ?
C108 C107 Fe1 70.13(11) . . ?
C106 C107 Fe1 69.81(11) . . ?
C108 C107 H107 125.9 . . ?
C106 C107 H107 125.9 . . ?
Fe1 C107 H107 125.8 . . ?
C109 C108 C107 108.15(19) . . ?
C109 C108 Fe1 70.02(12) . . ?
C107 C108 Fe1 69.03(11) . . ?
C109 C108 H108 125.9 . . ?
C107 C108 H108 125.9 . . ?
Fe1 C108 H108 126.6 . . ?
C108 C109 C110 108.52(18) . . ?
C108 C109 Fe1 69.48(12) . . ?
C110 C109 Fe1 69.66(12) . . ?
C108 C109 H109 125.7 . . ?
C110 C109 H109 125.7 . . ?
Fe1 C109 H109 126.7 . . ?
C109 C110 C106 108.0(2) . . ?
C109 C110 Fe1 69.79(12) . . ?
C106 C110 Fe1 69.11(11) . . ?
C109 C110 H110 126.0 . . ?
C106 C110 H110 126.0 . . ?
Fe1 C110 H110 126.6 . . ?
N1 C111 C101 178.9(3) . . ?
C117 C112 C113 119.16(17) . . ?
C117 C112 P1 118.26(14) . . ?
C113 C112 P1 122.46(15) . . ?
C114 C113 C112 119.82(19) . . ?
C114 C113 H113 120.1 . . ?
C112 C113 H113 120.1 . . ?
C115 C114 C113 120.52(19) . . ?
C115 C114 H114 119.7 . . ?
C113 C114 H114 119.7 . . ?
C114 C115 C116 119.96(18) . . ?
C114 C115 H115 120.0 . . ?
C116 C115 H115 120.0 . . ?
C117 C116 C115 119.88(19) . . ?
C117 C116 H116 120.1 . . ?
C115 C116 H116 120.1 . . ?
C116 C117 C112 120.60(18) . . ?
C116 C117 H117 119.7 . . ?
C112 C117 H117 119.7 . . ?
C123 C118 C119 118.89(19) . . ?
C123 C118 P1 118.84(16) . . ?
C119 C118 P1 122.26(16) . . ?
C120 C119 C118 120.4(2) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 120.1(2) . . ?
C121 C120 H120 119.9 . . ?
C119 C120 H120 119.9 . . ?
C122 C121 C120 119.8(2) . . ?
C122 C121 H121 120.1 . . ?
C120 C121 H121 120.1 . . ?
C121 C122 C123 120.5(2) . . ?
C121 C122 H122 119.7 . . ?
C123 C122 H122 119.7 . . ?
C122 C123 C118 120.2(2) . . ?
C122 C123 H123 119.9 . . ?
C118 C123 H123 119.9 . . ?
P2 Ag2 Br2 124.125(14) . . ?
P2 Ag2 Br3 116.269(14) . . ?
Br2 Ag2 Br3 104.419(8) . . ?
P2 Ag2 Br1 121.092(15) . . ?
Br2 Ag2 Br1 91.110(7) . . ?
Br3 Ag2 Br1 93.452(7) . . ?
Ag2 Br2 Ag1 86.716(7) . . ?
Ag2 Br2 Ag3 76.975(7) . . ?
Ag1 Br2 Ag3 79.445(7) . . ?
C201 Fe2 C202 41.55(9) . . ?
C201 Fe2 C207 158.50(9) . . ?
C202 Fe2 C207 158.05(9) . . ?
C201 Fe2 C206 159.37(9) . . ?
C202 Fe2 C206 122.39(9) . . ?
C207 Fe2 C206 40.91(8) . . ?
C201 Fe2 C210 123.13(9) . . ?
C202 Fe2 C210 108.10(10) . . ?
C207 Fe2 C210 68.70(9) . . ?
C206 Fe2 C210 41.04(8) . . ?
C201 Fe2 C205 41.03(9) . . ?
C202 Fe2 C205 69.30(10) . . ?
C207 Fe2 C205 121.72(9) . . ?
C206 Fe2 C205 158.20(8) . . ?
C210 Fe2 C205 158.86(9) . . ?
C201 Fe2 C203 68.08(9) . . ?
C202 Fe2 C203 40.43(10) . . ?
C207 Fe2 C203 122.35(10) . . ?
C206 Fe2 C203 108.25(9) . . ?
C210 Fe2 C203 124.88(11) . . ?
C205 Fe2 C203 67.56(10) . . ?
C201 Fe2 C209 107.91(9) . . ?
C202 Fe2 C209 124.28(11) . . ?
C207 Fe2 C209 68.32(9) . . ?
C206 Fe2 C209 68.59(8) . . ?
C210 Fe2 C209 40.55(9) . . ?
C205 Fe2 C209 122.43(9) . . ?
C203 Fe2 C209 161.07(12) . . ?
C201 Fe2 C208 122.72(9) . . ?
C202 Fe2 C208 159.97(10) . . ?
C207 Fe2 C208 40.81(9) . . ?
C206 Fe2 C208 68.58(8) . . ?
C210 Fe2 C208 68.11(9) . . ?
C205 Fe2 C208 106.75(10) . . ?
C203 Fe2 C208 157.77(11) . . ?
C209 Fe2 C208 40.14(9) . . ?
C201 Fe2 C204 68.15(9) . . ?
C202 Fe2 C204 68.54(12) . . ?
C207 Fe2 C204 106.74(10) . . ?
C206 Fe2 C204 123.04(9) . . ?
C210 Fe2 C204 160.25(10) . . ?
C205 Fe2 C204 39.96(9) . . ?
C203 Fe2 C204 40.13(11) . . ?
C209 Fe2 C204 157.39(12) . . ?
C208 Fe2 C204 121.80(12) . . ?
C206 P2 C218 103.00(9) . . ?
C206 P2 C212 102.19(9) . . ?
C218 P2 C212 105.16(9) . . ?
C206 P2 Ag2 116.97(7) . . ?
C218 P2 Ag2 114.07(7) . . ?
C212 P2 Ag2 113.91(6) . . ?
C211 C201 C205 124.6(2) . . ?
C211 C201 C202 127.4(2) . . ?
C205 C201 C202 108.0(2) . . ?
C211 C201 Fe2 126.63(16) . . ?
C205 C201 Fe2 70.28(12) . . ?
C202 C201 Fe2 69.45(12) . . ?
C203 C202 C201 106.3(2) . . ?
C203 C202 Fe2 70.39(14) . . ?
C201 C202 Fe2 69.01(12) . . ?
C203 C202 H202 126.8 . . ?
C201 C202 H202 126.8 . . ?
Fe2 C202 H202 125.4 . . ?
C204 C203 C202 109.6(2) . . ?
C204 C203 Fe2 70.25(14) . . ?
C202 C203 Fe2 69.18(13) . . ?
C204 C203 H203 125.2 . . ?
C202 C203 H203 125.2 . . ?
Fe2 C203 H203 127.0 . . ?
C205 C204 C203 108.2(2) . . ?
C205 C204 Fe2 69.68(13) . . ?
C203 C204 Fe2 69.63(14) . . ?
C205 C204 H204 125.9 . . ?
C203 C204 H204 125.9 . . ?
Fe2 C204 H204 126.4 . . ?
C204 C205 C201 107.8(2) . . ?
C204 C205 Fe2 70.35(13) . . ?
C201 C205 Fe2 68.69(12) . . ?
C204 C205 H205 126.1 . . ?
C201 C205 H205 126.1 . . ?
Fe2 C205 H205 126.4 . . ?
C207 C206 C210 107.23(18) . . ?
C207 C206 P2 124.79(15) . . ?
C210 C206 P2 127.88(16) . . ?
C207 C206 Fe2 69.14(11) . . ?
C210 C206 Fe2 69.50(11) . . ?
P2 C206 Fe2 129.24(10) . . ?
C208 C207 C206 108.13(19) . . ?
C208 C207 Fe2 70.19(12) . . ?
C206 C207 Fe2 69.95(11) . . ?
C208 C207 H207 125.9 . . ?
C206 C207 H207 125.9 . . ?
Fe2 C207 H207 125.5 . . ?
C209 C208 C207 108.2(2) . . ?
C209 C208 Fe2 69.85(13) . . ?
C207 C208 Fe2 69.00(12) . . ?
C209 C208 H208 125.9 . . ?
C207 C208 H208 125.9 . . ?
Fe2 C208 H208 126.8 . . ?
C208 C209 C210 108.6(2) . . ?
C208 C209 Fe2 70.01(12) . . ?
C210 C209 Fe2 69.63(12) . . ?
C208 C209 H209 125.7 . . ?
C210 C209 H209 125.7 . . ?
Fe2 C209 H209 126.2 . . ?
C209 C210 C206 107.9(2) . . ?
C209 C210 Fe2 69.82(12) . . ?
C206 C210 Fe2 69.46(11) . . ?
C209 C210 H210 126.0 . . ?
C206 C210 H210 126.0 . . ?
Fe2 C210 H210 126.2 . . ?
N2 C211 C201 175.5(3) . . ?
C213 C212 C217 118.55(19) . . ?
C213 C212 P2 118.12(15) . . ?
C217 C212 P2 123.33(16) . . ?
C212 C213 C214 120.3(2) . . ?
C212 C213 H213 119.9 . . ?
C214 C213 H213 119.9 . . ?
C215 C214 C213 120.7(2) . . ?
C215 C214 H214 119.7 . . ?
C213 C214 H214 119.7 . . ?
C216 C215 C214 119.4(2) . . ?
C216 C215 H215 120.3 . . ?
C214 C215 H215 120.3 . . ?
C215 C216 C217 120.4(2) . . ?
C215 C216 H216 119.8 . . ?
C217 C216 H216 119.8 . . ?
C216 C217 C212 120.6(2) . . ?
C216 C217 H217 119.7 . . ?
C212 C217 H217 119.7 . . ?
C219 C218 C223 118.66(19) . . ?
C219 C218 P2 118.78(15) . . ?
C223 C218 P2 122.56(16) . . ?
C220 C219 C218 120.7(2) . . ?
C220 C219 H219 119.6 . . ?
C218 C219 H219 119.6 . . ?
C221 C220 C219 120.2(2) . . ?
C221 C220 H220 119.9 . . ?
C219 C220 H220 119.9 . . ?
C222 C221 C220 119.7(2) . . ?
C222 C221 H221 120.2 . . ?
C220 C221 H221 120.2 . . ?
C221 C222 C223 120.6(2) . . ?
C221 C222 H222 119.7 . . ?
C223 C222 H222 119.7 . . ?
C222 C223 C218 120.1(2) . . ?
C222 C223 H223 120.0 . . ?
C218 C223 H223 120.0 . . ?
P3 Ag3 Br4 143.408(14) . . ?
P3 Ag3 Br3 103.155(14) . . ?
Br4 Ag3 Br3 93.266(8) . . ?
P3 Ag3 Br2 108.517(14) . . ?
Br4 Ag3 Br2 99.371(8) . . ?
Br3 Ag3 Br2 102.257(8) . . ?
Ag4 Br3 Ag2 84.683(7) . . ?
Ag4 Br3 Ag3 85.619(7) . . ?
Ag2 Br3 Ag3 76.340(7) . . ?
C301 Fe3 C305 41.39(8) . . ?
C301 Fe3 C307 125.96(9) . . ?
C305 Fe3 C307 107.13(9) . . ?
C301 Fe3 C302 41.12(9) . . ?
C305 Fe3 C302 69.29(9) . . ?
C307 Fe3 C302 163.83(9) . . ?
C301 Fe3 C306 164.37(9) . . ?
C305 Fe3 C306 126.43(8) . . ?
C307 Fe3 C306 41.10(8) . . ?
C302 Fe3 C306 153.49(9) . . ?
C301 Fe3 C309 118.51(9) . . ?
C305 Fe3 C309 153.15(10) . . ?
C307 Fe3 C309 68.22(10) . . ?
C302 Fe3 C309 107.44(10) . . ?
C306 Fe3 C309 68.48(9) . . ?
C301 Fe3 C304 68.44(9) . . ?
C305 Fe3 C304 40.45(9) . . ?
C307 Fe3 C304 119.89(9) . . ?
C302 Fe3 C304 68.29(9) . . ?
C306 Fe3 C304 108.50(8) . . ?
C309 Fe3 C304 164.98(10) . . ?
C301 Fe3 C310 152.91(9) . . ?
C305 Fe3 C310 164.69(8) . . ?
C307 Fe3 C310 68.75(10) . . ?
C302 Fe3 C310 118.82(9) . . ?
C306 Fe3 C310 40.94(9) . . ?
C309 Fe3 C310 40.52(9) . . ?
C304 Fe3 C310 127.70(9) . . ?
C301 Fe3 C308 107.02(9) . . ?
C305 Fe3 C308 118.97(10) . . ?
C307 Fe3 C308 40.57(9) . . ?
C302 Fe3 C308 126.24(9) . . ?
C306 Fe3 C308 68.55(8) . . ?
C309 Fe3 C308 40.24(10) . . ?
C304 Fe3 C308 153.81(10) . . ?
C310 Fe3 C308 68.16(10) . . ?
C301 Fe3 C303 68.30(9) . . ?
C305 Fe3 C303 68.34(9) . . ?
C307 Fe3 C303 154.40(9) . . ?
C302 Fe3 C303 40.37(9) . . ?
C306 Fe3 C303 120.01(9) . . ?
C309 Fe3 C303 127.32(11) . . ?
C304 Fe3 C303 40.32(9) . . ?
C310 Fe3 C303 108.62(10) . . ?
C308 Fe3 C303 164.06(10) . . ?
C306 P3 C318 103.97(9) . . ?
C306 P3 C312 104.83(9) . . ?
C318 P3 C312 102.85(9) . . ?
C306 P3 Ag3 113.88(7) . . ?
C318 P3 Ag3 119.30(7) . . ?
C312 P3 Ag3 110.54(7) . . ?
C302 C301 C305 108.01(19) . . ?
C302 C301 C311 125.08(19) . . ?
C305 C301 C311 126.9(2) . . ?
C302 C301 Fe3 70.04(12) . . ?
C305 C301 Fe3 69.52(12) . . ?
C311 C301 Fe3 124.82(16) . . ?
C303 C302 C301 107.46(19) . . ?
C303 C302 Fe3 70.38(12) . . ?
C301 C302 Fe3 68.84(12) . . ?
C303 C302 H302 126.3 . . ?
C301 C302 H302 126.3 . . ?
Fe3 C302 H302 126.1 . . ?
C302 C303 C304 108.5(2) . . ?
C302 C303 Fe3 69.25(13) . . ?
C304 C303 Fe3 69.59(12) . . ?
C302 C303 H303 125.7 . . ?
C304 C303 H303 125.7 . . ?
Fe3 C303 H303 127.0 . . ?
C305 C304 C303 108.65(19) . . ?
C305 C304 Fe3 69.08(12) . . ?
C303 C304 Fe3 70.09(13) . . ?
C305 C304 H304 125.7 . . ?
C303 C304 H304 125.7 . . ?
Fe3 C304 H304 126.7 . . ?
C304 C305 C301 107.36(19) . . ?
C304 C305 Fe3 70.48(12) . . ?
C301 C305 Fe3 69.09(12) . . ?
C304 C305 H305 126.3 . . ?
C301 C305 H305 126.3 . . ?
Fe3 C305 H305 125.7 . . ?
C310 C306 C307 107.47(19) . . ?
C310 C306 P3 128.89(17) . . ?
C307 C306 P3 123.61(17) . . ?
C310 C306 Fe3 69.81(12) . . ?
C307 C306 Fe3 69.39(12) . . ?
P3 C306 Fe3 124.47(11) . . ?
C308 C307 C306 107.9(2) . . ?
C308 C307 Fe3 70.18(14) . . ?
C306 C307 Fe3 69.51(12) . . ?
C308 C307 H307 126.0 . . ?
C306 C307 H307 126.0 . . ?
Fe3 C307 H307 125.8 . . ?
C309 C308 C307 108.3(2) . . ?
C309 C308 Fe3 69.76(14) . . ?
C307 C308 Fe3 69.25(12) . . ?
C309 C308 H308 125.9 . . ?
C307 C308 H308 125.9 . . ?
Fe3 C308 H308 126.7 . . ?
C308 C309 C310 108.6(2) . . ?
C308 C309 Fe3 70.00(13) . . ?
C310 C309 Fe3 69.75(13) . . ?
C308 C309 H309 125.7 . . ?
C310 C309 H309 125.7 . . ?
Fe3 C309 H309 126.1 . . ?
C309 C310 C306 107.7(2) . . ?
C309 C310 Fe3 69.73(13) . . ?
C306 C310 Fe3 69.24(12) . . ?
C309 C310 H310 126.1 . . ?
C306 C310 H310 126.1 . . ?
Fe3 C310 H310 126.5 . . ?
N3 C311 C301 178.1(3) . . ?
C313 C312 C317 119.21(19) . . ?
C313 C312 P3 123.01(16) . . ?
C317 C312 P3 117.75(16) . . ?
C312 C313 C314 120.1(2) . . ?
C312 C313 H313 120.0 . . ?
C314 C313 H313 120.0 . . ?
C315 C314 C313 120.1(2) . . ?
C315 C314 H314 120.0 . . ?
C313 C314 H314 120.0 . . ?
C314 C315 C316 120.3(2) . . ?
C314 C315 H315 119.9 . . ?
C316 C315 H315 119.9 . . ?
C315 C316 C317 120.0(2) . . ?
C315 C316 H316 120.0 . . ?
C317 C316 H316 120.0 . . ?
C316 C317 C312 120.3(2) . . ?
C316 C317 H317 119.8 . . ?
C312 C317 H317 119.8 . . ?
C323 C318 C319 118.91(19) . . ?
C323 C318 P3 119.22(16) . . ?
C319 C318 P3 121.87(15) . . ?
C320 C319 C318 120.2(2) . . ?
C320 C319 H319 119.9 . . ?
C318 C319 H319 119.9 . . ?
C319 C320 C321 120.4(2) . . ?
C319 C320 H320 119.8 . . ?
C321 C320 H320 119.8 . . ?
C322 C321 C320 119.7(2) . . ?
C322 C321 H321 120.1 . . ?
C320 C321 H321 120.1 . . ?
C321 C322 C323 120.1(2) . . ?
C321 C322 H322 119.9 . . ?
C323 C322 H322 119.9 . . ?
C318 C323 C322 120.6(2) . . ?
C318 C323 H323 119.7 . . ?
C322 C323 H323 119.7 . . ?
P4 Ag4 Br1 134.942(14) . . ?
P4 Ag4 Br3 118.792(14) . . ?
Br1 Ag4 Br3 96.454(8) . . ?
P4 Ag4 Br4 108.191(13) . . ?
Br1 Ag4 Br4 97.215(7) . . ?
Br3 Ag4 Br4 91.436(7) . . ?
Ag3 Br4 Ag1 81.825(7) . . ?
Ag3 Br4 Ag4 85.704(7) . . ?
Ag1 Br4 Ag4 80.549(7) . . ?
C407 Fe4 C404 119.63(9) . . ?
C407 Fe4 C403 104.14(9) . . ?
C404 Fe4 C403 40.44(10) . . ?
C407 Fe4 C405 156.57(8) . . ?
C404 Fe4 C405 40.46(9) . . ?
C403 Fe4 C405 68.32(9) . . ?
C407 Fe4 C406 41.04(7) . . ?
C404 Fe4 C406 158.36(9) . . ?
C403 Fe4 C406 124.35(9) . . ?
C405 Fe4 C406 160.87(8) . . ?
C407 Fe4 C401 158.52(8) . . ?
C404 Fe4 C401 67.92(9) . . ?
C403 Fe4 C401 67.75(9) . . ?
C405 Fe4 C401 40.95(8) . . ?
C406 Fe4 C401 126.05(8) . . ?
C407 Fe4 C408 40.69(8) . . ?
C404 Fe4 C408 102.69(9) . . ?
C403 Fe4 C408 116.68(9) . . ?
C405 Fe4 C408 121.22(9) . . ?
C406 Fe4 C408 68.51(8) . . ?
C401 Fe4 C408 160.79(9) . . ?
C407 Fe4 C402 120.50(8) . . ?
C404 Fe4 C402 67.93(10) . . ?
C403 Fe4 C402 40.04(9) . . ?
C405 Fe4 C402 68.80(9) . . ?
C406 Fe4 C402 110.57(8) . . ?
C401 Fe4 C402 40.68(8) . . ?
C408 Fe4 C402 153.10(9) . . ?
C407 Fe4 C410 68.58(8) . . ?
C404 Fe4 C410 155.79(9) . . ?
C403 Fe4 C410 163.77(9) . . ?
C405 Fe4 C410 124.04(8) . . ?
C406 Fe4 C410 40.85(7) . . ?
C401 Fe4 C410 113.51(8) . . ?
C408 Fe4 C410 67.91(8) . . ?
C402 Fe4 C410 130.12(9) . . ?
C407 Fe4 C409 68.49(8) . . ?
C404 Fe4 C409 118.41(10) . . ?
C403 Fe4 C409 152.33(9) . . ?
C405 Fe4 C409 107.35(9) . . ?
C406 Fe4 C409 68.43(8) . . ?
C401 Fe4 C409 127.90(8) . . ?
C408 Fe4 C409 40.47(8) . . ?
C402 Fe4 C409 166.14(9) . . ?
C410 Fe4 C409 40.19(8) . . ?
C406 P4 C412 102.20(9) . . ?
C406 P4 C418 101.29(9) . . ?
C412 P4 C418 103.97(9) . . ?
C406 P4 Ag4 117.77(6) . . ?
C412 P4 Ag4 110.99(6) . . ?
C418 P4 Ag4 118.54(6) . . ?
C402 C401 C411 124.4(2) . . ?
C402 C401 C405 108.27(19) . . ?
C411 C401 C405 127.1(2) . . ?
C402 C401 Fe4 69.86(12) . . ?
C411 C401 Fe4 130.97(14) . . ?
C405 C401 Fe4 69.42(11) . . ?
C403 C402 C401 107.5(2) . . ?
C403 C402 Fe4 69.66(12) . . ?
C401 C402 Fe4 69.46(12) . . ?
C403 C402 H402 126.2 . . ?
C401 C402 H402 126.2 . . ?
Fe4 C402 H402 126.2 . . ?
C402 C403 C404 108.7(2) . . ?
C402 C403 Fe4 70.30(12) . . ?
C404 C403 Fe4 69.70(13) . . ?
C402 C403 H403 125.6 . . ?
C404 C403 H403 125.6 . . ?
Fe4 C403 H403 125.9 . . ?
C403 C404 C405 108.7(2) . . ?
C403 C404 Fe4 69.85(13) . . ?
C405 C404 Fe4 69.86(12) . . ?
C403 C404 H404 125.7 . . ?
C405 C404 H404 125.7 . . ?
Fe4 C404 H404 126.2 . . ?
C404 C405 C401 106.8(2) . . ?
C404 C405 Fe4 69.68(12) . . ?
C401 C405 Fe4 69.63(11) . . ?
C404 C405 H405 126.6 . . ?
C401 C405 H405 126.6 . . ?
Fe4 C405 H405 125.7 . . ?
C407 C406 C410 107.19(17) . . ?
C407 C406 P4 124.65(15) . . ?
C410 C406 P4 128.00(14) . . ?
C407 C406 Fe4 68.90(10) . . ?
C410 C406 Fe4 69.94(10) . . ?
P4 C406 Fe4 129.73(10) . . ?
C408 C407 C406 108.07(17) . . ?
C408 C407 Fe4 70.34(11) . . ?
C406 C407 Fe4 70.06(10) . . ?
C408 C407 H407 126.0 . . ?
C406 C407 H407 126.0 . . ?
Fe4 C407 H407 125.2 . . ?
C407 C408 C409 108.30(18) . . ?
C407 C408 Fe4 68.97(11) . . ?
C409 C408 Fe4 70.13(11) . . ?
C407 C408 H408 125.8 . . ?
C409 C408 H408 125.8 . . ?
Fe4 C408 H408 126.6 . . ?
C410 C409 C408 107.97(18) . . ?
C410 C409 Fe4 69.80(11) . . ?
C408 C409 Fe4 69.40(11) . . ?
C410 C409 H409 126.0 . . ?
C408 C409 H409 126.0 . . ?
Fe4 C409 H409 126.4 . . ?
C409 C410 C406 108.45(17) . . ?
C409 C410 Fe4 70.01(11) . . ?
C406 C410 Fe4 69.21(10) . . ?
C409 C410 H410 125.8 . . ?
C406 C410 H410 125.8 . . ?
Fe4 C410 H410 126.6 . . ?
N4 C411 C401 176.7(2) . . ?
C417 C412 C413 119.18(18) . . ?
C417 C412 P4 118.18(14) . . ?
C413 C412 P4 122.60(15) . . ?
C414 C413 C412 120.27(19) . . ?
C414 C413 H413 119.9 . . ?
C412 C413 H413 119.9 . . ?
C415 C414 C413 120.2(2) . . ?
C415 C414 H414 119.9 . . ?
C413 C414 H414 119.9 . . ?
C414 C415 C416 120.09(19) . . ?
C414 C415 H415 120.0 . . ?
C416 C415 H415 120.0 . . ?
C415 C416 C417 120.2(2) . . ?
C415 C416 H416 119.9 . . ?
C417 C416 H416 119.9 . . ?
C412 C417 C416 120.04(19) . . ?
C412 C417 H417 120.0 . . ?
C416 C417 H417 120.0 . . ?
C423 C418 C419 118.62(18) . . ?
C423 C418 P4 123.29(15) . . ?
C419 C418 P4 117.94(15) . . ?
C420 C419 C418 120.4(2) . . ?
C420 C419 H419 119.8 . . ?
C418 C419 H419 119.8 . . ?
C421 C420 C419 120.0(2) . . ?
C421 C420 H420 120.0 . . ?
C419 C420 H420 120.0 . . ?
C420 C421 C422 120.1(2) . . ?
C420 C421 H421 120.0 . . ?
C422 C421 H421 120.0 . . ?
C421 C422 C423 119.8(2) . . ?
C421 C422 H422 120.1 . . ?
C423 C422 H422 120.1 . . ?
C422 C423 C418 121.0(2) . . ?
C422 C423 H423 119.5 . . ?
C418 C423 H423 119.5 . . ?
H1W O1W H2W 110.4 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.735
_refine_diff_density_rms         0.074
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks241sq
_database_code_depnum_ccdc_archive 'CCDC 1470456'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C92 H72 Ag4 Fe4 I4 N4 P4, 2 (C4 H8 O2), C4 H8 O2'
_chemical_formula_sum            'C104 H96 Ag4 Fe4 I4 N4 O6 P4'
_chemical_formula_weight         2784.21

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.5006(6)
_cell_length_b                   12.0171(2)
_cell_length_c                   26.2756(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.2490(10)
_cell_angle_gamma                90.00
_cell_volume                     10180.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9533
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      27.46

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5440
_exptl_absorpt_coefficient_mu    2.636
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.515
_exptl_absorpt_correction_T_max  0.648

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.250 0.250 0.000 229 62 ' '
2 0.750 0.750 0.000 229 62 ' '
3 0.051 0.958 0.086 10 1 ' '
4 0.551 0.458 0.086 10 1 ' '
5 0.250 0.750 0.500 229 62 ' '
6 0.750 0.250 0.500 229 62 ' '
7 0.449 0.458 0.414 10 1 ' '
8 0.949 0.958 0.414 10 1 ' '
9 0.051 0.042 0.586 10 1 ' '
10 0.551 0.542 0.586 10 1 ' '
11 0.449 0.542 0.914 10 1 ' '
12 0.949 0.042 0.914 10 1 ' '
_platon_squeeze_details          
;one of the three ethyl acetate molecules accompanying
each heterocubane unit is disordered around inversion centre;
this results in four disordered ethyl acetate molecules per
the unit cell or 4*62 electrons.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53241
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         27.50
_reflns_number_total             11715
_reflns_number_gt                10012
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0324P)²+30.0020P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11715
_refine_ls_number_parameters     561
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0687
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.024061(8) 0.16912(2) 0.316982(9) 0.02653(6) Uani 1 1 d . . .
Ag2 Ag 0.050233(8) -0.01358(2) 0.239385(10) 0.02820(7) Uani 1 1 d . . .
I1 I 0.018659(6) -0.068851(17) 0.336098(8) 0.02325(5) Uani 1 1 d . . .
I2 I 0.063041(6) 0.221808(17) 0.229996(7) 0.02124(5) Uani 1 1 d . . .
Fe1 Fe 0.145770(14) 0.23554(4) 0.423456(17) 0.02057(10) Uani 1 1 d . . .
P1 P 0.04041(2) 0.25091(6) 0.40259(3) 0.01558(15) Uani 1 1 d . . .
N1 N 0.24680(12) 0.4046(4) 0.49477(17) 0.0618(11) Uani 1 1 d . . .
C101 C 0.19654(11) 0.3308(3) 0.41905(15) 0.0357(9) Uani 1 1 d . . .
C102 C 0.16019(11) 0.3861(3) 0.39497(14) 0.0328(8) Uani 1 1 d . . .
H102 H 0.1498 0.4558 0.4047 0.039 Uiso 1 1 calc R . .
C103 C 0.14274(11) 0.3183(3) 0.35437(13) 0.0329(8) Uani 1 1 d . . .
H103 H 0.1185 0.3349 0.3314 0.039 Uiso 1 1 calc R . .
C104 C 0.16723(12) 0.2210(4) 0.35334(14) 0.0369(9) Uani 1 1 d . . .
H104 H 0.1621 0.1611 0.3298 0.044 Uiso 1 1 calc R . .
C105 C 0.20067(11) 0.2278(3) 0.39340(15) 0.0370(9) Uani 1 1 d . . .
H105 H 0.2218 0.1739 0.4016 0.044 Uiso 1 1 calc R . .
C106 C 0.08742(9) 0.2046(3) 0.44035(11) 0.0192(6) Uani 1 1 d . . .
C107 C 0.10845(10) 0.1027(3) 0.43231(13) 0.0238(7) Uani 1 1 d . . .
H107 H 0.0996 0.0483 0.4070 0.029 Uiso 1 1 calc R . .
C108 C 0.14462(10) 0.0965(3) 0.46844(13) 0.0266(7) Uani 1 1 d . . .
H108 H 0.1642 0.0374 0.4716 0.032 Uiso 1 1 calc R . .
C109 C 0.14653(11) 0.1936(3) 0.49906(12) 0.0288(8) Uani 1 1 d . . .
H109 H 0.1676 0.2107 0.5264 0.035 Uiso 1 1 calc R . .
C110 C 0.11163(10) 0.2611(3) 0.48218(11) 0.0232(7) Uani 1 1 d . . .
H110 H 0.1054 0.3312 0.4961 0.028 Uiso 1 1 calc R . .
C111 C 0.22404(12) 0.3699(4) 0.46161(18) 0.0439(10) Uani 1 1 d . . .
C112 C -0.00057(10) 0.2157(3) 0.44134(12) 0.0206(6) Uani 1 1 d . . .
C113 C 0.00634(12) 0.1580(3) 0.48735(13) 0.0299(8) Uani 1 1 d . . .
H113 H 0.0338 0.1407 0.5021 0.036 Uiso 1 1 calc R . .
C114 C -0.02755(15) 0.1255(3) 0.51185(15) 0.0419(10) Uani 1 1 d . . .
H114 H -0.0230 0.0857 0.5433 0.050 Uiso 1 1 calc R . .
C115 C -0.06734(14) 0.1506(3) 0.49070(17) 0.0443(11) Uani 1 1 d . . .
H115 H -0.0901 0.1273 0.5075 0.053 Uiso 1 1 calc R . .
C116 C -0.07431(12) 0.2085(4) 0.44598(16) 0.0408(10) Uani 1 1 d . . .
H116 H -0.1019 0.2266 0.4319 0.049 Uiso 1 1 calc R . .
C117 C -0.04146(10) 0.2410(3) 0.42098(14) 0.0297(8) Uani 1 1 d . . .
H117 H -0.0466 0.2810 0.3896 0.036 Uiso 1 1 calc R . .
C118 C 0.04397(9) 0.4020(3) 0.40700(11) 0.0174(6) Uani 1 1 d . . .
C119 C 0.04913(10) 0.4624(3) 0.36299(12) 0.0221(7) Uani 1 1 d . . .
H119 H 0.0491 0.4249 0.3311 0.027 Uiso 1 1 calc R . .
C120 C 0.05436(11) 0.5771(3) 0.36538(13) 0.0294(8) Uani 1 1 d . . .
H120 H 0.0580 0.6176 0.3352 0.035 Uiso 1 1 calc R . .
C121 C 0.05430(11) 0.6324(3) 0.41169(14) 0.0302(8) Uani 1 1 d . . .
H121 H 0.0583 0.7107 0.4134 0.036 Uiso 1 1 calc R . .
C122 C 0.04836(10) 0.5734(3) 0.45559(13) 0.0247(7) Uani 1 1 d . . .
H122 H 0.0481 0.6113 0.4873 0.030 Uiso 1 1 calc R . .
C123 C 0.04280(9) 0.4590(3) 0.45314(11) 0.0203(6) Uani 1 1 d . . .
H123 H 0.0382 0.4190 0.4831 0.024 Uiso 1 1 calc R . .
Fe2 Fe 0.088641(13) -0.37565(4) 0.169097(16) 0.01861(9) Uani 1 1 d . . .
P2 P 0.11230(3) -0.12953(7) 0.23737(3) 0.01986(16) Uani 1 1 d . . .
N2 N 0.20223(13) -0.4049(4) 0.1122(2) 0.0737(14) Uani 1 1 d . . .
C201 C 0.12309(11) -0.3862(3) 0.10977(13) 0.0330(8) Uani 1 1 d . . .
C202 C 0.09658(13) -0.4799(3) 0.10964(14) 0.0374(9) Uani 1 1 d . . .
H202 H 0.1049 -0.5557 0.1125 0.045 Uiso 1 1 calc R . .
C203 C 0.05512(11) -0.4391(3) 0.10440(13) 0.0319(8) Uani 1 1 d . . .
H203 H 0.0308 -0.4832 0.1032 0.038 Uiso 1 1 calc R . .
C204 C 0.05632(11) -0.3218(3) 0.10134(12) 0.0287(7) Uani 1 1 d . . .
H204 H 0.0330 -0.2737 0.0976 0.034 Uiso 1 1 calc R . .
C205 C 0.09845(11) -0.2883(3) 0.10488(12) 0.0290(8) Uani 1 1 d . . .
H205 H 0.1083 -0.2141 0.1041 0.035 Uiso 1 1 calc R . .
C206 C 0.10001(10) -0.2757(3) 0.23292(11) 0.0193(6) Uani 1 1 d . . .
C207 C 0.12672(10) -0.3717(3) 0.23732(12) 0.0238(7) Uani 1 1 d . . .
H207 H 0.1562 -0.3704 0.2413 0.029 Uiso 1 1 calc R . .
C208 C 0.10170(11) -0.4682(3) 0.23469(13) 0.0292(8) Uani 1 1 d . . .
H208 H 0.1116 -0.5426 0.2371 0.035 Uiso 1 1 calc R . .
C209 C 0.05974(11) -0.4364(3) 0.22799(12) 0.0265(7) Uani 1 1 d . . .
H209 H 0.0366 -0.4852 0.2247 0.032 Uiso 1 1 calc R . .
C210 C 0.05813(10) -0.3179(3) 0.22702(12) 0.0240(7) Uani 1 1 d . . .
H210 H 0.0336 -0.2740 0.2232 0.029 Uiso 1 1 calc R . .
C211 C 0.16633(15) -0.3963(4) 0.11195(18) 0.0485(11) Uani 1 1 d . . .
C212 C 0.14747(10) -0.1215(3) 0.29716(13) 0.0249(7) Uani 1 1 d . . .
C213 C 0.18531(12) -0.0651(3) 0.30109(16) 0.0404(9) Uani 1 1 d . . .
H213 H 0.1946 -0.0345 0.2712 0.049 Uiso 1 1 calc R . .
C214 C 0.20943(14) -0.0533(4) 0.34832(19) 0.0519(12) Uani 1 1 d . . .
H214 H 0.2352 -0.0152 0.3506 0.062 Uiso 1 1 calc R . .
C215 C 0.19602(14) -0.0968(4) 0.39181(18) 0.0545(13) Uani 1 1 d . . .
H215 H 0.2124 -0.0877 0.4242 0.065 Uiso 1 1 calc R . .
C216 C 0.15873(14) -0.1536(4) 0.38847(16) 0.0508(12) Uani 1 1 d . . .
H216 H 0.1497 -0.1845 0.4185 0.061 Uiso 1 1 calc R . .
C217 C 0.13451(12) -0.1656(3) 0.34146(13) 0.0352(9) Uani 1 1 d . . .
H217 H 0.1088 -0.2041 0.3395 0.042 Uiso 1 1 calc R . .
C218 C 0.14473(10) -0.0971(3) 0.18774(12) 0.0229(7) Uani 1 1 d . . .
C219 C 0.13148(12) -0.0135(3) 0.15292(14) 0.0330(8) Uani 1 1 d . . .
H219 H 0.1067 0.0266 0.1561 0.040 Uiso 1 1 calc R . .
C220 C 0.15482(13) 0.0113(3) 0.11307(15) 0.0403(9) Uani 1 1 d . . .
H220 H 0.1459 0.0685 0.0893 0.048 Uiso 1 1 calc R . .
C221 C 0.19026(13) -0.0461(3) 0.10819(15) 0.0379(9) Uani 1 1 d . . .
H221 H 0.2057 -0.0293 0.0808 0.046 Uiso 1 1 calc R . .
C222 C 0.20393(11) -0.1289(3) 0.14297(15) 0.0349(8) Uani 1 1 d . . .
H222 H 0.2288 -0.1682 0.1397 0.042 Uiso 1 1 calc R . .
C223 C 0.18116(11) -0.1541(3) 0.18255(14) 0.0295(8) Uani 1 1 d . . .
H223 H 0.1905 -0.2110 0.2064 0.035 Uiso 1 1 calc R . .
O91 O 0.26417(13) 0.1304(4) 0.24274(15) 0.0865(13) Uani 1 1 d . . .
O92 O 0.22186(13) 0.2041(3) 0.17812(16) 0.0760(11) Uani 1 1 d . . .
C91 C 0.28019(17) 0.1113(5) 0.1582(2) 0.0710(16) Uani 1 1 d . . .
H91A H 0.3048 0.1588 0.1589 0.106 Uiso 1 1 calc R . .
H91B H 0.2635 0.1170 0.1245 0.106 Uiso 1 1 calc R . .
H91C H 0.2888 0.0339 0.1645 0.106 Uiso 1 1 calc R . .
C92 C 0.25531(16) 0.1478(5) 0.1981(2) 0.0589(13) Uani 1 1 d . . .
C93 C 0.1938(2) 0.2417(6) 0.2141(3) 0.102(2) Uani 1 1 d . . .
H93A H 0.1649 0.2373 0.1969 0.122 Uiso 1 1 calc R . .
H93B H 0.1962 0.1902 0.2438 0.122 Uiso 1 1 calc R . .
C94 C 0.2017(2) 0.3537(6) 0.2328(3) 0.104(2) Uani 1 1 d . . .
H94A H 0.2310 0.3613 0.2463 0.156 Uiso 1 1 calc R . .
H94B H 0.1845 0.3692 0.2601 0.156 Uiso 1 1 calc R . .
H94C H 0.1948 0.4065 0.2046 0.156 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.4509(8) . ?
Ag1 I2 2.8214(3) . ?
Ag1 I1 2.9126(3) . ?
Ag1 I2 3.0094(3) 2 ?
Ag1 Ag2 3.1841(4) . ?
Ag2 P2 2.4579(9) . ?
Ag2 I2 2.8743(3) . ?
Ag2 I1 2.8753(3) 2 ?
Ag2 I1 2.9343(3) . ?
I1 Ag2 2.8753(3) 2 ?
I2 Ag1 3.0094(3) 2 ?
Fe1 C101 2.024(4) . ?
Fe1 C110 2.034(3) . ?
Fe1 C102 2.035(4) . ?
Fe1 C106 2.036(3) . ?
Fe1 C107 2.036(3) . ?
Fe1 C105 2.042(4) . ?
Fe1 C109 2.047(3) . ?
Fe1 C108 2.050(3) . ?
Fe1 C104 2.058(4) . ?
Fe1 C103 2.061(3) . ?
P1 C106 1.801(3) . ?
P1 C118 1.822(3) . ?
P1 C112 1.825(3) . ?
N1 C111 1.148(5) . ?
C101 C111 1.420(6) . ?
C101 C105 1.423(6) . ?
C101 C102 1.431(5) . ?
C102 C103 1.404(5) . ?
C102 H102 0.9500 . ?
C103 C104 1.417(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.417(5) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.432(4) . ?
C106 C110 1.439(4) . ?
C107 C108 1.417(5) . ?
C107 H107 0.9500 . ?
C108 C109 1.414(5) . ?
C108 H108 0.9500 . ?
C109 C110 1.419(5) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C113 1.387(5) . ?
C112 C117 1.402(5) . ?
C113 C114 1.400(5) . ?
C113 H113 0.9500 . ?
C114 C115 1.375(6) . ?
C114 H114 0.9500 . ?
C115 C116 1.360(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.379(5) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.393(4) . ?
C118 C123 1.397(4) . ?
C119 C120 1.389(5) . ?
C119 H119 0.9500 . ?
C120 C121 1.387(5) . ?
C120 H120 0.9500 . ?
C121 C122 1.388(5) . ?
C121 H121 0.9500 . ?
C122 C123 1.388(5) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Fe2 C201 2.035(3) . ?
Fe2 C210 2.040(3) . ?
Fe2 C209 2.043(3) . ?
Fe2 C202 2.044(4) . ?
Fe2 C205 2.046(3) . ?
Fe2 C207 2.046(3) . ?
Fe2 C203 2.047(3) . ?
Fe2 C208 2.050(3) . ?
Fe2 C204 2.054(3) . ?
Fe2 C206 2.058(3) . ?
P2 C206 1.802(3) . ?
P2 C218 1.819(3) . ?
P2 C212 1.825(3) . ?
N2 C211 1.171(6) . ?
C201 C211 1.404(6) . ?
C201 C202 1.418(5) . ?
C201 C205 1.419(5) . ?
C202 C203 1.424(5) . ?
C202 H202 0.9500 . ?
C203 C204 1.412(5) . ?
C203 H203 0.9500 . ?
C204 C205 1.419(5) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.439(4) . ?
C206 C210 1.442(4) . ?
C207 C208 1.413(5) . ?
C207 H207 0.9500 . ?
C208 C209 1.406(5) . ?
C208 H208 0.9500 . ?
C209 C210 1.425(5) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C217 1.391(5) . ?
C212 C213 1.397(5) . ?
C213 C214 1.389(6) . ?
C213 H213 0.9500 . ?
C214 C215 1.376(7) . ?
C214 H214 0.9500 . ?
C215 C216 1.384(7) . ?
C215 H215 0.9500 . ?
C216 C217 1.386(5) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C223 1.390(5) . ?
C218 C219 1.391(5) . ?
C219 C220 1.400(5) . ?
C219 H219 0.9500 . ?
C220 C221 1.363(6) . ?
C220 H220 0.9500 . ?
C221 C222 1.386(6) . ?
C221 H221 0.9500 . ?
C222 C223 1.384(5) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
O91 C92 1.190(6) . ?
O92 C92 1.331(6) . ?
O92 C93 1.466(8) . ?
C91 C92 1.470(7) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C93 C94 1.445(9) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 I2 125.87(2) . . ?
P1 Ag1 I1 104.26(2) . . ?
I2 Ag1 I1 113.768(10) . . ?
P1 Ag1 I2 112.08(2) . 2 ?
I2 Ag1 I2 96.650(9) . 2 ?
I1 Ag1 I2 101.727(10) . 2 ?
P1 Ag1 Ag2 145.06(2) . . ?
I2 Ag1 Ag2 56.803(8) . . ?
I1 Ag1 Ag2 57.331(8) . . ?
I2 Ag1 Ag2 101.296(9) 2 . ?
P2 Ag2 I2 115.34(2) . . ?
P2 Ag2 I1 115.09(2) . 2 ?
I2 Ag2 I1 106.066(10) . 2 ?
P2 Ag2 I1 105.54(2) . . ?
I2 Ag2 I1 111.553(10) . . ?
I1 Ag2 I1 102.598(10) 2 . ?
P2 Ag2 Ag1 133.71(2) . . ?
I2 Ag2 Ag1 55.226(8) . . ?
I1 Ag2 Ag1 110.689(10) 2 . ?
I1 Ag2 Ag1 56.678(8) . . ?
Ag2 I1 Ag1 73.314(9) 2 . ?
Ag2 I1 Ag2 71.174(10) 2 . ?
Ag1 I1 Ag2 65.991(8) . . ?
Ag1 I2 Ag2 67.971(9) . . ?
Ag1 I2 Ag1 77.864(9) . 2 ?
Ag2 I2 Ag1 71.894(8) . 2 ?
C101 Fe1 C110 118.99(15) . . ?
C101 Fe1 C102 41.30(15) . . ?
C110 Fe1 C102 108.51(15) . . ?
C101 Fe1 C106 154.76(15) . . ?
C110 Fe1 C106 41.40(12) . . ?
C102 Fe1 C106 120.43(14) . . ?
C101 Fe1 C107 162.16(15) . . ?
C110 Fe1 C107 69.03(13) . . ?
C102 Fe1 C107 155.14(14) . . ?
C106 Fe1 C107 41.17(12) . . ?
C101 Fe1 C105 40.98(16) . . ?
C110 Fe1 C105 152.47(15) . . ?
C102 Fe1 C105 69.22(16) . . ?
C106 Fe1 C105 163.62(15) . . ?
C107 Fe1 C105 124.80(15) . . ?
C101 Fe1 C109 106.55(15) . . ?
C110 Fe1 C109 40.70(13) . . ?
C102 Fe1 C109 126.93(15) . . ?
C106 Fe1 C109 68.95(13) . . ?
C107 Fe1 C109 68.31(14) . . ?
C105 Fe1 C109 117.39(15) . . ?
C101 Fe1 C108 124.64(15) . . ?
C110 Fe1 C108 68.56(13) . . ?
C102 Fe1 C108 163.45(14) . . ?
C106 Fe1 C108 68.91(13) . . ?
C107 Fe1 C108 40.57(13) . . ?
C105 Fe1 C108 105.45(15) . . ?
C109 Fe1 C108 40.39(14) . . ?
C101 Fe1 C104 68.04(17) . . ?
C110 Fe1 C104 166.11(14) . . ?
C102 Fe1 C104 68.09(16) . . ?
C106 Fe1 C104 127.59(14) . . ?
C107 Fe1 C104 108.03(15) . . ?
C105 Fe1 C104 40.42(15) . . ?
C109 Fe1 C104 152.12(15) . . ?
C108 Fe1 C104 118.66(15) . . ?
C101 Fe1 C103 68.00(15) . . ?
C110 Fe1 C103 128.69(14) . . ?
C102 Fe1 C103 40.09(15) . . ?
C106 Fe1 C103 109.74(13) . . ?
C107 Fe1 C103 121.06(14) . . ?
C105 Fe1 C103 68.18(15) . . ?
C109 Fe1 C103 165.25(15) . . ?
C108 Fe1 C103 153.99(15) . . ?
C104 Fe1 C103 40.24(15) . . ?
C106 P1 C118 103.30(14) . . ?
C106 P1 C112 104.42(14) . . ?
C118 P1 C112 103.92(14) . . ?
C106 P1 Ag1 116.89(10) . . ?
C118 P1 Ag1 117.55(10) . . ?
C112 P1 Ag1 109.26(10) . . ?
C111 C101 C105 124.9(4) . . ?
C111 C101 C102 126.6(4) . . ?
C105 C101 C102 108.4(3) . . ?
C111 C101 Fe1 125.3(3) . . ?
C105 C101 Fe1 70.2(2) . . ?
C102 C101 Fe1 69.8(2) . . ?
C103 C102 C101 107.3(3) . . ?
C103 C102 Fe1 71.0(2) . . ?
C101 C102 Fe1 68.9(2) . . ?
C103 C102 H102 126.3 . . ?
C101 C102 H102 126.3 . . ?
Fe1 C102 H102 125.4 . . ?
C102 C103 C104 108.6(3) . . ?
C102 C103 Fe1 69.0(2) . . ?
C104 C103 Fe1 69.8(2) . . ?
C102 C103 H103 125.7 . . ?
C104 C103 H103 125.7 . . ?
Fe1 C103 H103 127.2 . . ?
C105 C104 C103 108.5(4) . . ?
C105 C104 Fe1 69.2(2) . . ?
C103 C104 Fe1 70.0(2) . . ?
C105 C104 H104 125.7 . . ?
C103 C104 H104 125.7 . . ?
Fe1 C104 H104 126.6 . . ?
C104 C105 C101 107.1(3) . . ?
C104 C105 Fe1 70.4(2) . . ?
C101 C105 Fe1 68.8(2) . . ?
C104 C105 H105 126.5 . . ?
C101 C105 H105 126.5 . . ?
Fe1 C105 H105 125.9 . . ?
C107 C106 C110 106.9(3) . . ?
C107 C106 P1 124.8(2) . . ?
C110 C106 P1 128.3(2) . . ?
C107 C106 Fe1 69.44(18) . . ?
C110 C106 Fe1 69.25(17) . . ?
P1 C106 Fe1 124.91(16) . . ?
C108 C107 C106 108.5(3) . . ?
C108 C107 Fe1 70.22(19) . . ?
C106 C107 Fe1 69.39(18) . . ?
C108 C107 H107 125.8 . . ?
C106 C107 H107 125.8 . . ?
Fe1 C107 H107 126.2 . . ?
C109 C108 C107 108.1(3) . . ?
C109 C108 Fe1 69.69(19) . . ?
C107 C108 Fe1 69.21(18) . . ?
C109 C108 H108 125.9 . . ?
C107 C108 H108 125.9 . . ?
Fe1 C108 H108 126.7 . . ?
C108 C109 C110 108.5(3) . . ?
C108 C109 Fe1 69.91(19) . . ?
C110 C109 Fe1 69.18(18) . . ?
C108 C109 H109 125.7 . . ?
C110 C109 H109 125.7 . . ?
Fe1 C109 H109 126.8 . . ?
C109 C110 C106 107.9(3) . . ?
C109 C110 Fe1 70.12(19) . . ?
C106 C110 Fe1 69.34(17) . . ?
C109 C110 H110 126.0 . . ?
C106 C110 H110 126.0 . . ?
Fe1 C110 H110 126.1 . . ?
N1 C111 C101 177.3(5) . . ?
C113 C112 C117 118.9(3) . . ?
C113 C112 P1 123.5(3) . . ?
C117 C112 P1 117.4(2) . . ?
C112 C113 C114 119.3(4) . . ?
C112 C113 H113 120.3 . . ?
C114 C113 H113 120.3 . . ?
C115 C114 C113 120.5(4) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C116 C115 C114 120.5(4) . . ?
C116 C115 H115 119.8 . . ?
C114 C115 H115 119.8 . . ?
C115 C116 C117 120.1(4) . . ?
C115 C116 H116 119.9 . . ?
C117 C116 H116 119.9 . . ?
C116 C117 C112 120.7(4) . . ?
C116 C117 H117 119.6 . . ?
C112 C117 H117 119.6 . . ?
C119 C118 C123 118.9(3) . . ?
C119 C118 P1 118.7(2) . . ?
C123 C118 P1 122.3(2) . . ?
C120 C119 C118 120.4(3) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 120.1(3) . . ?
C121 C120 H120 119.9 . . ?
C119 C120 H120 119.9 . . ?
C120 C121 C122 120.0(3) . . ?
C120 C121 H121 120.0 . . ?
C122 C121 H121 120.0 . . ?
C123 C122 C121 119.9(3) . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C118 120.6(3) . . ?
C122 C123 H123 119.7 . . ?
C118 C123 H123 119.7 . . ?
C201 Fe2 C210 163.51(15) . . ?
C201 Fe2 C209 155.22(16) . . ?
C210 Fe2 C209 40.85(13) . . ?
C201 Fe2 C202 40.69(16) . . ?
C210 Fe2 C202 154.00(15) . . ?
C209 Fe2 C202 118.31(15) . . ?
C201 Fe2 C205 40.70(15) . . ?
C210 Fe2 C205 125.57(14) . . ?
C209 Fe2 C205 160.40(15) . . ?
C202 Fe2 C205 68.66(16) . . ?
C201 Fe2 C207 110.02(14) . . ?
C210 Fe2 C207 68.63(13) . . ?
C209 Fe2 C207 68.27(14) . . ?
C202 Fe2 C207 124.27(15) . . ?
C205 Fe2 C207 124.80(14) . . ?
C201 Fe2 C203 68.12(15) . . ?
C210 Fe2 C203 119.23(14) . . ?
C209 Fe2 C203 104.40(14) . . ?
C202 Fe2 C203 40.75(15) . . ?
C205 Fe2 C203 68.15(14) . . ?
C207 Fe2 C203 159.36(14) . . ?
C201 Fe2 C208 122.33(15) . . ?
C210 Fe2 C208 68.05(14) . . ?
C209 Fe2 C208 40.17(14) . . ?
C202 Fe2 C208 106.09(16) . . ?
C205 Fe2 C208 159.12(15) . . ?
C207 Fe2 C208 40.36(13) . . ?
C203 Fe2 C208 121.88(15) . . ?
C201 Fe2 C204 68.05(15) . . ?
C210 Fe2 C204 107.21(14) . . ?
C209 Fe2 C204 122.35(14) . . ?
C202 Fe2 C204 68.33(16) . . ?
C205 Fe2 C204 40.49(14) . . ?
C207 Fe2 C204 159.81(14) . . ?
C203 Fe2 C204 40.27(15) . . ?
C208 Fe2 C204 158.19(14) . . ?
C201 Fe2 C206 126.95(14) . . ?
C210 Fe2 C206 41.20(13) . . ?
C209 Fe2 C206 69.12(13) . . ?
C202 Fe2 C206 162.46(14) . . ?
C205 Fe2 C206 110.02(13) . . ?
C207 Fe2 C206 41.06(12) . . ?
C203 Fe2 C206 156.35(14) . . ?
C208 Fe2 C206 68.58(13) . . ?
C204 Fe2 C206 122.83(13) . . ?
C206 P2 C218 107.81(14) . . ?
C206 P2 C212 102.52(15) . . ?
C218 P2 C212 104.44(15) . . ?
C206 P2 Ag2 112.22(11) . . ?
C218 P2 Ag2 116.45(11) . . ?
C212 P2 Ag2 112.23(11) . . ?
C211 C201 C202 122.4(4) . . ?
C211 C201 C205 128.7(4) . . ?
C202 C201 C205 108.8(3) . . ?
C211 C201 Fe2 128.2(3) . . ?
C202 C201 Fe2 70.0(2) . . ?
C205 C201 Fe2 70.07(19) . . ?
C201 C202 C203 107.1(3) . . ?
C201 C202 Fe2 69.3(2) . . ?
C203 C202 Fe2 69.7(2) . . ?
C201 C202 H202 126.5 . . ?
C203 C202 H202 126.5 . . ?
Fe2 C202 H202 126.1 . . ?
C204 C203 C202 108.5(3) . . ?
C204 C203 Fe2 70.14(19) . . ?
C202 C203 Fe2 69.5(2) . . ?
C204 C203 H203 125.8 . . ?
C202 C203 H203 125.8 . . ?
Fe2 C203 H203 126.2 . . ?
C203 C204 C205 108.2(3) . . ?
C203 C204 Fe2 69.6(2) . . ?
C205 C204 Fe2 69.44(19) . . ?
C203 C204 H204 125.9 . . ?
C205 C204 H204 125.9 . . ?
Fe2 C204 H204 126.6 . . ?
C204 C205 C201 107.5(3) . . ?
C204 C205 Fe2 70.07(19) . . ?
C201 C205 Fe2 69.2(2) . . ?
C204 C205 H205 126.3 . . ?
C201 C205 H205 126.3 . . ?
Fe2 C205 H205 126.0 . . ?
C207 C206 C210 106.2(3) . . ?
C207 C206 P2 130.5(2) . . ?
C210 C206 P2 123.2(2) . . ?
C207 C206 Fe2 69.04(17) . . ?
C210 C206 Fe2 68.75(17) . . ?
P2 C206 Fe2 129.59(16) . . ?
C208 C207 C206 108.4(3) . . ?
C208 C207 Fe2 69.97(19) . . ?
C206 C207 Fe2 69.89(17) . . ?
C208 C207 H207 125.8 . . ?
C206 C207 H207 125.8 . . ?
Fe2 C207 H207 125.9 . . ?
C209 C208 C207 109.0(3) . . ?
C209 C208 Fe2 69.65(19) . . ?
C207 C208 Fe2 69.67(18) . . ?
C209 C208 H208 125.5 . . ?
C207 C208 H208 125.5 . . ?
Fe2 C208 H208 126.8 . . ?
C208 C209 C210 107.9(3) . . ?
C208 C209 Fe2 70.18(19) . . ?
C210 C209 Fe2 69.47(18) . . ?
C208 C209 H209 126.0 . . ?
C210 C209 H209 126.0 . . ?
Fe2 C209 H209 125.9 . . ?
C209 C210 C206 108.5(3) . . ?
C209 C210 Fe2 69.69(19) . . ?
C206 C210 Fe2 70.04(17) . . ?
C209 C210 H210 125.8 . . ?
C206 C210 H210 125.8 . . ?
Fe2 C210 H210 126.1 . . ?
N2 C211 C201 178.0(5) . . ?
C217 C212 C213 118.7(3) . . ?
C217 C212 P2 118.5(3) . . ?
C213 C212 P2 122.6(3) . . ?
C214 C213 C212 120.5(4) . . ?
C214 C213 H213 119.7 . . ?
C212 C213 H213 119.7 . . ?
C215 C214 C213 120.1(4) . . ?
C215 C214 H214 120.0 . . ?
C213 C214 H214 120.0 . . ?
C214 C215 C216 120.1(4) . . ?
C214 C215 H215 120.0 . . ?
C216 C215 H215 120.0 . . ?
C215 C216 C217 120.1(4) . . ?
C215 C216 H216 119.9 . . ?
C217 C216 H216 119.9 . . ?
C216 C217 C212 120.6(4) . . ?
C216 C217 H217 119.7 . . ?
C212 C217 H217 119.7 . . ?
C223 C218 C219 119.3(3) . . ?
C223 C218 P2 122.9(3) . . ?
C219 C218 P2 117.8(3) . . ?
C218 C219 C220 119.6(3) . . ?
C218 C219 H219 120.2 . . ?
C220 C219 H219 120.2 . . ?
C221 C220 C219 120.5(4) . . ?
C221 C220 H220 119.8 . . ?
C219 C220 H220 119.8 . . ?
C220 C221 C222 120.4(3) . . ?
C220 C221 H221 119.8 . . ?
C222 C221 H221 119.8 . . ?
C223 C222 C221 119.7(4) . . ?
C223 C222 H222 120.1 . . ?
C221 C222 H222 120.1 . . ?
C222 C223 C218 120.6(3) . . ?
C222 C223 H223 119.7 . . ?
C218 C223 H223 119.7 . . ?
C92 O92 C93 116.5(5) . . ?
C92 C91 H91A 109.5 . . ?
C92 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C92 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
O91 C92 O92 124.2(5) . . ?
O91 C92 C91 124.4(6) . . ?
O92 C92 C91 111.4(5) . . ?
C94 C93 O92 114.0(6) . . ?
C94 C93 H93A 108.7 . . ?
O92 C93 H93A 108.7 . . ?
C94 C93 H93B 108.7 . . ?
O92 C93 H93B 108.7 . . ?
H93A C93 H93B 107.6 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.209
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.099
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks242
_database_code_depnum_ccdc_archive 'CCDC 1470457'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Ag4 Fe4 I4 N4 P4, 4(C H Cl3)'
_chemical_formula_sum            'C96 H76 Ag4 Cl12 Fe4 I4 N4 P4'
_chemical_formula_weight         2997.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_space_group_name_Hall           '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   33.0189(7)
_cell_length_b                   12.0454(3)
_cell_length_c                   26.0476(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.7430(10)
_cell_angle_gamma                90.00
_cell_volume                     10210.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9895
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      27.46

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5792
_exptl_absorpt_coefficient_mu    2.935
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.3517
_exptl_absorpt_correction_T_max  0.7015

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38701
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         27.50
_reflns_number_total             11720
_reflns_number_gt                10115
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0200P)²+45.2500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11720
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0293
_refine_ls_wR_factor_ref         0.0637
_refine_ls_wR_factor_gt          0.0606
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.026743(9) 0.16881(2) 0.315728(10) 0.02595(6) Uani 1 1 d . . .
Ag2 Ag 0.045974(8) -0.01472(2) 0.236699(10) 0.02368(6) Uani 1 1 d . . .
I1 I 0.024337(6) -0.068153(18) 0.338738(8) 0.02008(5) Uani 1 1 d . . .
I2 I 0.062036(7) 0.219208(17) 0.227463(8) 0.02087(5) Uani 1 1 d . . .
Fe1 Fe 0.151876(14) 0.26105(4) 0.420980(17) 0.01906(10) Uani 1 1 d . . .
P1 P 0.04684(2) 0.25320(7) 0.40201(3) 0.01435(15) Uani 1 1 d . . .
N1 N 0.24290(11) 0.4691(4) 0.49343(16) 0.0510(10) Uani 1 1 d . . .
C101 C 0.19713(10) 0.3717(3) 0.41630(14) 0.0291(8) Uani 1 1 d . . .
C102 C 0.15860(10) 0.4149(3) 0.39002(14) 0.0269(8) Uani 1 1 d . . .
H102 H 0.1457 0.4815 0.3982 0.032 Uiso 1 1 calc R . .
C103 C 0.14350(11) 0.3395(3) 0.34979(13) 0.0286(8) Uani 1 1 d . . .
H103 H 0.1184 0.3468 0.3260 0.034 Uiso 1 1 calc R . .
C104 C 0.17195(12) 0.2514(3) 0.35082(14) 0.0331(9) Uani 1 1 d . . .
H104 H 0.1692 0.1897 0.3277 0.040 Uiso 1 1 calc R . .
C105 C 0.20516(11) 0.2700(3) 0.39178(15) 0.0343(9) Uani 1 1 d . . .
H105 H 0.2285 0.2236 0.4012 0.041 Uiso 1 1 calc R . .
C106 C 0.09643(9) 0.2168(3) 0.43855(12) 0.0169(6) Uani 1 1 d . . .
C107 C 0.11932(10) 0.1196(3) 0.42979(13) 0.0219(7) Uani 1 1 d . . .
H107 H 0.1111 0.0644 0.4041 0.026 Uiso 1 1 calc R . .
C108 C 0.15656(11) 0.1204(3) 0.46622(13) 0.0268(8) Uani 1 1 d . . .
H108 H 0.1775 0.0656 0.4691 0.032 Uiso 1 1 calc R . .
C109 C 0.15708(11) 0.2162(3) 0.49738(12) 0.0256(7) Uani 1 1 d . . .
H109 H 0.1785 0.2372 0.5247 0.031 Uiso 1 1 calc R . .
C110 C 0.12022(10) 0.2761(3) 0.48101(12) 0.0198(7) Uani 1 1 d . . .
H110 H 0.1126 0.3437 0.4956 0.024 Uiso 1 1 calc R . .
C111 C 0.22259(11) 0.4242(4) 0.45953(16) 0.0362(9) Uani 1 1 d . . .
C112 C 0.01042(10) 0.2118(3) 0.44373(12) 0.0190(7) Uani 1 1 d . . .
C113 C 0.02219(12) 0.1580(3) 0.49134(13) 0.0264(8) Uani 1 1 d . . .
H113 H 0.0504 0.1460 0.5046 0.032 Uiso 1 1 calc R . .
C114 C -0.00781(15) 0.1222(3) 0.51923(15) 0.0392(10) Uani 1 1 d . . .
H114 H 0.0002 0.0856 0.5517 0.047 Uiso 1 1 calc R . .
C115 C -0.04872(14) 0.1389(3) 0.50045(17) 0.0408(11) Uani 1 1 d . . .
H115 H -0.0689 0.1135 0.5197 0.049 Uiso 1 1 calc R . .
C116 C -0.06049(12) 0.1922(3) 0.45388(17) 0.0380(10) Uani 1 1 d . . .
H116 H -0.0889 0.2045 0.4413 0.046 Uiso 1 1 calc R . .
C117 C -0.03138(11) 0.2288(3) 0.42472(14) 0.0273(8) Uani 1 1 d . . .
H117 H -0.0398 0.2649 0.3923 0.033 Uiso 1 1 calc R . .
C118 C 0.04665(9) 0.4042(2) 0.40599(12) 0.0148(6) Uani 1 1 d . . .
C119 C 0.04883(10) 0.4665(3) 0.36140(12) 0.0191(6) Uani 1 1 d . . .
H119 H 0.0483 0.4300 0.3290 0.023 Uiso 1 1 calc R . .
C120 C 0.05169(10) 0.5805(3) 0.36409(13) 0.0230(7) Uani 1 1 d . . .
H120 H 0.0532 0.6221 0.3335 0.028 Uiso 1 1 calc R . .
C121 C 0.05235(10) 0.6349(3) 0.41079(14) 0.0243(7) Uani 1 1 d . . .
H121 H 0.0550 0.7134 0.4125 0.029 Uiso 1 1 calc R . .
C122 C 0.04909(10) 0.5742(3) 0.45546(13) 0.0229(7) Uani 1 1 d . . .
H122 H 0.0489 0.6115 0.4876 0.028 Uiso 1 1 calc R . .
C123 C 0.04613(9) 0.4596(3) 0.45305(12) 0.0184(6) Uani 1 1 d . . .
H123 H 0.0437 0.4184 0.4835 0.022 Uiso 1 1 calc R . .
Fe2 Fe 0.087073(13) -0.38089(4) 0.168526(16) 0.01441(9) Uani 1 1 d . . .
P2 P 0.10726(2) -0.13154(7) 0.23834(3) 0.01550(16) Uani 1 1 d . . .
N2 N 0.19965(10) -0.4016(3) 0.11409(14) 0.0377(8) Uani 1 1 d . . .
C201 C 0.12137(10) -0.3945(3) 0.11063(12) 0.0211(7) Uani 1 1 d . . .
C202 C 0.09460(11) -0.4884(3) 0.11042(13) 0.0241(7) Uani 1 1 d . . .
H202 H 0.1028 -0.5639 0.1148 0.029 Uiso 1 1 calc R . .
C203 C 0.05391(11) -0.4481(3) 0.10254(12) 0.0253(7) Uani 1 1 d . . .
H203 H 0.0298 -0.4920 0.1006 0.030 Uiso 1 1 calc R . .
C204 C 0.05508(10) -0.3309(3) 0.09796(12) 0.0242(7) Uani 1 1 d . . .
H204 H 0.0318 -0.2831 0.0925 0.029 Uiso 1 1 calc R . .
C205 C 0.09649(10) -0.2968(3) 0.10287(12) 0.0210(7) Uani 1 1 d . . .
H205 H 0.1060 -0.2226 0.1013 0.025 Uiso 1 1 calc R . .
C206 C 0.09587(9) -0.2787(3) 0.23237(11) 0.0163(6) Uani 1 1 d . . .
C207 C 0.12384(10) -0.3703(3) 0.24006(12) 0.0197(7) Uani 1 1 d . . .
H207 H 0.1530 -0.3652 0.2467 0.024 Uiso 1 1 calc R . .
C208 C 0.10070(11) -0.4703(3) 0.23615(12) 0.0231(7) Uani 1 1 d . . .
H208 H 0.1116 -0.5434 0.2397 0.028 Uiso 1 1 calc R . .
C209 C 0.05826(11) -0.4417(3) 0.22598(12) 0.0237(7) Uani 1 1 d . . .
H209 H 0.0360 -0.4926 0.2214 0.028 Uiso 1 1 calc R . .
C210 C 0.05493(10) -0.3237(3) 0.22377(12) 0.0185(6) Uani 1 1 d . . .
H210 H 0.0301 -0.2823 0.2177 0.022 Uiso 1 1 calc R . .
C211 C 0.16483(11) -0.3983(3) 0.11405(14) 0.0258(7) Uani 1 1 d . . .
C212 C 0.14250(9) -0.1256(3) 0.30046(12) 0.0179(6) Uani 1 1 d . . .
C213 C 0.17565(11) -0.0529(3) 0.30826(14) 0.0272(8) Uani 1 1 d . . .
H213 H 0.1812 -0.0078 0.2803 0.033 Uiso 1 1 calc R . .
C214 C 0.20076(11) -0.0457(3) 0.35657(15) 0.0327(9) Uani 1 1 d . . .
H214 H 0.2235 0.0037 0.3614 0.039 Uiso 1 1 calc R . .
C215 C 0.19298(11) -0.1094(3) 0.39753(14) 0.0310(8) Uani 1 1 d . . .
H215 H 0.2102 -0.1038 0.4306 0.037 Uiso 1 1 calc R . .
C216 C 0.16003(11) -0.1816(3) 0.39045(14) 0.0308(8) Uani 1 1 d . . .
H216 H 0.1546 -0.2259 0.4187 0.037 Uiso 1 1 calc R . .
C217 C 0.13477(10) -0.1898(3) 0.34213(13) 0.0245(7) Uani 1 1 d . . .
H217 H 0.1121 -0.2395 0.3376 0.029 Uiso 1 1 calc R . .
C218 C 0.13908(10) -0.0996(3) 0.18969(12) 0.0187(6) Uani 1 1 d . . .
C219 C 0.12468(11) -0.0228(3) 0.15100(14) 0.0274(8) Uani 1 1 d . . .
H219 H 0.0996 0.0152 0.1519 0.033 Uiso 1 1 calc R . .
C220 C 0.14677(13) -0.0013(3) 0.11095(15) 0.0336(9) Uani 1 1 d . . .
H220 H 0.1367 0.0511 0.0846 0.040 Uiso 1 1 calc R . .
C221 C 0.18330(12) -0.0562(3) 0.10958(15) 0.0326(9) Uani 1 1 d . . .
H221 H 0.1983 -0.0421 0.0822 0.039 Uiso 1 1 calc R . .
C222 C 0.19796(11) -0.1322(3) 0.14843(15) 0.0297(8) Uani 1 1 d . . .
H222 H 0.2230 -0.1703 0.1475 0.036 Uiso 1 1 calc R . .
C223 C 0.17638(10) -0.1527(3) 0.18831(14) 0.0241(7) Uani 1 1 d . . .
H223 H 0.1870 -0.2036 0.2151 0.029 Uiso 1 1 calc R . .
C80 C 0.25439(14) 0.5929(4) 0.28853(17) 0.0450(11) Uani 1 1 d . . .
H80 H 0.2790 0.5572 0.3098 0.054 Uiso 1 1 calc R . .
Cl81 Cl 0.22475(4) 0.65105(13) 0.33068(5) 0.0603(3) Uani 1 1 d . . .
Cl82 Cl 0.22646(4) 0.49006(12) 0.24916(6) 0.0729(4) Uani 1 1 d . . .
Cl83 Cl 0.27124(5) 0.69445(12) 0.24943(5) 0.0673(4) Uani 1 1 d . . .
C90 C 0.19045(12) 0.3331(4) 0.06011(16) 0.0394(10) Uani 1 1 d . . .
H90 H 0.2119 0.3925 0.0640 0.047 Uiso 1 1 calc R . .
Cl91 Cl 0.14722(3) 0.38020(10) 0.01609(4) 0.0445(3) Uani 1 1 d . . .
Cl92 Cl 0.17737(4) 0.30610(10) 0.12170(4) 0.0525(3) Uani 1 1 d . . .
Cl93 Cl 0.21089(4) 0.21286(11) 0.03664(5) 0.0550(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P1 2.4535(8) . ?
Ag1 I2 2.8141(3) . ?
Ag1 I1 2.9204(4) . ?
Ag1 I2 3.0185(4) 2 ?
Ag1 Ag2 3.1575(4) . ?
Ag1 Ag2 3.3774(4) 2 ?
Ag2 P2 2.4592(8) . ?
Ag2 I1 2.8497(3) 2 ?
Ag2 I2 2.8848(3) . ?
Ag2 I1 2.9380(3) . ?
Ag2 Ag2 3.2264(5) 2 ?
Ag2 Ag1 3.3775(4) 2 ?
I1 Ag2 2.8497(3) 2 ?
I2 Ag1 3.0185(4) 2 ?
Fe1 C101 2.021(4) . ?
Fe1 C110 2.031(3) . ?
Fe1 C106 2.032(3) . ?
Fe1 C105 2.034(3) . ?
Fe1 C109 2.041(3) . ?
Fe1 C107 2.048(3) . ?
Fe1 C102 2.048(4) . ?
Fe1 C104 2.050(3) . ?
Fe1 C108 2.055(4) . ?
Fe1 C103 2.058(3) . ?
P1 C106 1.803(3) . ?
P1 C112 1.822(3) . ?
P1 C118 1.822(3) . ?
N1 C111 1.149(5) . ?
C101 C105 1.427(5) . ?
C101 C111 1.433(5) . ?
C101 C102 1.436(5) . ?
C102 C103 1.412(5) . ?
C102 H102 0.9500 . ?
C103 C104 1.415(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.413(5) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.432(4) . ?
C106 C110 1.434(4) . ?
C107 C108 1.420(5) . ?
C107 H107 0.9500 . ?
C108 C109 1.410(5) . ?
C108 H108 0.9500 . ?
C109 C110 1.417(5) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C113 1.395(5) . ?
C112 C117 1.400(5) . ?
C113 C114 1.392(5) . ?
C113 H113 0.9500 . ?
C114 C115 1.372(6) . ?
C114 H114 0.9500 . ?
C115 C116 1.370(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.393(5) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.394(4) . ?
C118 C123 1.398(4) . ?
C119 C120 1.378(5) . ?
C119 H119 0.9500 . ?
C120 C121 1.378(5) . ?
C120 H120 0.9500 . ?
C121 C122 1.394(5) . ?
C121 H121 0.9500 . ?
C122 C123 1.384(5) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Fe2 C202 2.039(3) . ?
Fe2 C201 2.040(3) . ?
Fe2 C209 2.040(3) . ?
Fe2 C203 2.042(3) . ?
Fe2 C210 2.047(3) . ?
Fe2 C207 2.048(3) . ?
Fe2 C208 2.048(3) . ?
Fe2 C204 2.049(3) . ?
Fe2 C206 2.050(3) . ?
Fe2 C205 2.056(3) . ?
P2 C206 1.813(3) . ?
P2 C218 1.819(3) . ?
P2 C212 1.827(3) . ?
N2 C211 1.150(5) . ?
C201 C211 1.423(5) . ?
C201 C205 1.430(5) . ?
C201 C202 1.436(5) . ?
C202 C203 1.411(5) . ?
C202 H202 0.9500 . ?
C203 C204 1.418(5) . ?
C203 H203 0.9500 . ?
C204 C205 1.413(5) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.432(4) . ?
C206 C210 1.439(4) . ?
C207 C208 1.420(5) . ?
C207 H207 0.9500 . ?
C208 C209 1.424(5) . ?
C208 H208 0.9500 . ?
C209 C210 1.426(5) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C213 1.390(4) . ?
C212 C217 1.391(5) . ?
C213 C214 1.388(5) . ?
C213 H213 0.9500 . ?
C214 C215 1.373(6) . ?
C214 H214 0.9500 . ?
C215 C216 1.381(5) . ?
C215 H215 0.9500 . ?
C216 C217 1.391(5) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.391(5) . ?
C218 C223 1.394(5) . ?
C219 C220 1.395(5) . ?
C219 H219 0.9500 . ?
C220 C221 1.381(6) . ?
C220 H220 0.9500 . ?
C221 C222 1.389(5) . ?
C221 H221 0.9500 . ?
C222 C223 1.378(5) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
C80 Cl81 1.737(5) . ?
C80 Cl83 1.742(5) . ?
C80 Cl82 1.766(5) . ?
C80 H80 1.0000 . ?
C90 Cl93 1.751(4) . ?
C90 Cl92 1.761(4) . ?
C90 Cl91 1.766(4) . ?
C90 H90 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 I2 125.01(2) . . ?
P1 Ag1 I1 103.27(2) . . ?
I2 Ag1 I1 114.076(10) . . ?
P1 Ag1 I2 110.68(2) . 2 ?
I2 Ag1 I2 99.347(10) . 2 ?
I1 Ag1 I2 102.394(10) . 2 ?
P1 Ag1 Ag2 146.53(2) . . ?
I2 Ag1 Ag2 57.429(8) . . ?
I1 Ag1 Ag2 57.655(8) . . ?
I2 Ag1 Ag2 100.812(9) 2 . ?
P1 Ag1 Ag2 134.84(2) . 2 ?
I2 Ag1 Ag2 100.092(9) . 2 ?
I1 Ag1 Ag2 53.208(8) . 2 ?
I2 Ag1 Ag2 53.262(8) 2 2 ?
Ag2 Ag1 Ag2 59.055(10) . 2 ?
P2 Ag2 I1 117.05(2) . 2 ?
P2 Ag2 I2 113.45(2) . . ?
I1 Ag2 I2 107.633(10) 2 . ?
P2 Ag2 I1 100.62(2) . . ?
I1 Ag2 I1 106.252(10) 2 . ?
I2 Ag2 I1 111.451(10) . . ?
P2 Ag2 Ag1 130.16(2) . . ?
I1 Ag2 Ag1 112.173(10) 2 . ?
I2 Ag2 Ag1 55.292(8) . . ?
I1 Ag2 Ag1 57.117(8) . . ?
P2 Ag2 Ag2 142.91(2) . 2 ?
I1 Ag2 Ag2 57.431(9) 2 2 ?
I2 Ag2 Ag2 102.173(7) . 2 ?
I1 Ag2 Ag2 54.829(8) . 2 ?
Ag1 Ag2 Ag2 63.872(8) . 2 ?
P2 Ag2 Ag1 155.25(2) . 2 ?
I1 Ag2 Ag1 55.151(8) 2 2 ?
I2 Ag2 Ag1 56.983(8) . 2 ?
I1 Ag2 Ag1 104.128(9) . 2 ?
Ag1 Ag2 Ag1 66.278(10) . 2 ?
Ag2 Ag2 Ag1 57.073(7) 2 2 ?
Ag2 I1 Ag1 71.641(9) 2 . ?
Ag2 I1 Ag2 67.740(10) 2 . ?
Ag1 I1 Ag2 65.228(8) . . ?
Ag1 I2 Ag2 67.279(9) . . ?
Ag1 I2 Ag1 75.570(10) . 2 ?
Ag2 I2 Ag1 69.756(9) . 2 ?
C101 Fe1 C110 118.01(14) . . ?
C101 Fe1 C106 152.88(14) . . ?
C110 Fe1 C106 41.35(12) . . ?
C101 Fe1 C105 41.19(16) . . ?
C110 Fe1 C105 150.88(15) . . ?
C106 Fe1 C105 165.31(15) . . ?
C101 Fe1 C109 106.99(15) . . ?
C110 Fe1 C109 40.73(13) . . ?
C106 Fe1 C109 68.98(13) . . ?
C105 Fe1 C109 116.31(15) . . ?
C101 Fe1 C107 164.30(14) . . ?
C110 Fe1 C107 68.88(13) . . ?
C106 Fe1 C107 41.09(13) . . ?
C105 Fe1 C107 126.14(15) . . ?
C109 Fe1 C107 68.27(14) . . ?
C101 Fe1 C102 41.33(14) . . ?
C110 Fe1 C102 109.06(14) . . ?
C106 Fe1 C102 119.22(13) . . ?
C105 Fe1 C102 69.29(16) . . ?
C109 Fe1 C102 128.79(15) . . ?
C107 Fe1 C102 152.97(13) . . ?
C101 Fe1 C104 68.27(15) . . ?
C110 Fe1 C104 167.87(14) . . ?
C106 Fe1 C104 128.71(14) . . ?
C105 Fe1 C104 40.46(15) . . ?
C109 Fe1 C104 150.19(15) . . ?
C107 Fe1 C104 107.92(15) . . ?
C102 Fe1 C104 68.12(16) . . ?
C101 Fe1 C108 126.42(15) . . ?
C110 Fe1 C108 68.33(14) . . ?
C106 Fe1 C108 68.75(13) . . ?
C105 Fe1 C108 105.80(16) . . ?
C109 Fe1 C108 40.27(14) . . ?
C107 Fe1 C108 40.51(13) . . ?
C102 Fe1 C108 165.78(14) . . ?
C104 Fe1 C108 117.39(16) . . ?
C101 Fe1 C103 68.33(14) . . ?
C110 Fe1 C103 130.13(14) . . ?
C106 Fe1 C103 109.56(13) . . ?
C105 Fe1 C103 68.37(15) . . ?
C109 Fe1 C103 167.52(15) . . ?
C107 Fe1 C103 119.35(14) . . ?
C102 Fe1 C103 40.23(14) . . ?
C104 Fe1 C103 40.29(15) . . ?
C108 Fe1 C103 151.78(15) . . ?
C106 P1 C112 104.51(15) . . ?
C106 P1 C118 102.98(14) . . ?
C112 P1 C118 103.33(14) . . ?
C106 P1 Ag1 117.60(11) . . ?
C112 P1 Ag1 109.23(10) . . ?
C118 P1 Ag1 117.57(10) . . ?
C105 C101 C111 127.0(3) . . ?
C105 C101 C102 108.3(3) . . ?
C111 C101 C102 124.7(4) . . ?
C105 C101 Fe1 69.9(2) . . ?
C111 C101 Fe1 125.8(3) . . ?
C102 C101 Fe1 70.32(19) . . ?
C103 C102 C101 107.1(3) . . ?
C103 C102 Fe1 70.3(2) . . ?
C101 C102 Fe1 68.3(2) . . ?
C103 C102 H102 126.4 . . ?
C101 C102 H102 126.4 . . ?
Fe1 C102 H102 126.5 . . ?
C102 C103 C104 108.6(3) . . ?
C102 C103 Fe1 69.5(2) . . ?
C104 C103 Fe1 69.6(2) . . ?
C102 C103 H103 125.7 . . ?
C104 C103 H103 125.7 . . ?
Fe1 C103 H103 126.8 . . ?
C105 C104 C103 108.8(3) . . ?
C105 C104 Fe1 69.2(2) . . ?
C103 C104 Fe1 70.2(2) . . ?
C105 C104 H104 125.6 . . ?
C103 C104 H104 125.6 . . ?
Fe1 C104 H104 126.7 . . ?
C104 C105 C101 107.2(3) . . ?
C104 C105 Fe1 70.4(2) . . ?
C101 C105 Fe1 68.9(2) . . ?
C104 C105 H105 126.4 . . ?
C101 C105 H105 126.4 . . ?
Fe1 C105 H105 125.9 . . ?
C107 C106 C110 107.2(3) . . ?
C107 C106 P1 124.8(2) . . ?
C110 C106 P1 128.0(2) . . ?
C107 C106 Fe1 70.03(18) . . ?
C110 C106 Fe1 69.28(18) . . ?
P1 C106 Fe1 126.11(16) . . ?
C108 C107 C106 108.0(3) . . ?
C108 C107 Fe1 70.0(2) . . ?
C106 C107 Fe1 68.87(18) . . ?
C108 C107 H107 126.0 . . ?
C106 C107 H107 126.0 . . ?
Fe1 C107 H107 126.7 . . ?
C109 C108 C107 108.3(3) . . ?
C109 C108 Fe1 69.3(2) . . ?
C107 C108 Fe1 69.47(19) . . ?
C109 C108 H108 125.8 . . ?
C107 C108 H108 125.8 . . ?
Fe1 C108 H108 126.9 . . ?
C108 C109 C110 108.5(3) . . ?
C108 C109 Fe1 70.4(2) . . ?
C110 C109 Fe1 69.25(18) . . ?
C108 C109 H109 125.7 . . ?
C110 C109 H109 125.7 . . ?
Fe1 C109 H109 126.2 . . ?
C109 C110 C106 108.0(3) . . ?
C109 C110 Fe1 70.02(19) . . ?
C106 C110 Fe1 69.38(18) . . ?
C109 C110 H110 126.0 . . ?
C106 C110 H110 126.0 . . ?
Fe1 C110 H110 126.2 . . ?
N1 C111 C101 178.1(5) . . ?
C113 C112 C117 119.5(3) . . ?
C113 C112 P1 123.0(3) . . ?
C117 C112 P1 117.4(3) . . ?
C114 C113 C112 119.5(4) . . ?
C114 C113 H113 120.3 . . ?
C112 C113 H113 120.3 . . ?
C115 C114 C113 120.9(4) . . ?
C115 C114 H114 119.6 . . ?
C113 C114 H114 119.6 . . ?
C116 C115 C114 120.0(3) . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C117 120.8(4) . . ?
C115 C116 H116 119.6 . . ?
C117 C116 H116 119.6 . . ?
C116 C117 C112 119.4(4) . . ?
C116 C117 H117 120.3 . . ?
C112 C117 H117 120.3 . . ?
C119 C118 C123 118.9(3) . . ?
C119 C118 P1 119.2(2) . . ?
C123 C118 P1 121.8(2) . . ?
C120 C119 C118 120.4(3) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 120.6(3) . . ?
C121 C120 H120 119.7 . . ?
C119 C120 H120 119.7 . . ?
C120 C121 C122 119.7(3) . . ?
C120 C121 H121 120.1 . . ?
C122 C121 H121 120.1 . . ?
C123 C122 C121 120.0(3) . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C118 120.3(3) . . ?
C122 C123 H123 119.9 . . ?
C118 C123 H123 119.9 . . ?
C202 Fe2 C201 41.21(13) . . ?
C202 Fe2 C209 116.55(14) . . ?
C201 Fe2 C209 154.10(14) . . ?
C202 Fe2 C203 40.45(14) . . ?
C201 Fe2 C203 68.40(13) . . ?
C209 Fe2 C203 102.99(14) . . ?
C202 Fe2 C210 151.46(13) . . ?
C201 Fe2 C210 164.93(13) . . ?
C209 Fe2 C210 40.83(13) . . ?
C203 Fe2 C210 117.19(13) . . ?
C202 Fe2 C207 125.92(14) . . ?
C201 Fe2 C207 111.08(13) . . ?
C209 Fe2 C207 68.48(13) . . ?
C203 Fe2 C207 160.20(14) . . ?
C210 Fe2 C207 68.75(13) . . ?
C202 Fe2 C208 105.52(14) . . ?
C201 Fe2 C208 121.66(14) . . ?
C209 Fe2 C208 40.76(14) . . ?
C203 Fe2 C208 121.59(14) . . ?
C210 Fe2 C208 68.71(13) . . ?
C207 Fe2 C208 40.56(13) . . ?
C202 Fe2 C204 68.30(14) . . ?
C201 Fe2 C204 68.09(13) . . ?
C209 Fe2 C204 121.99(14) . . ?
C203 Fe2 C204 40.55(14) . . ?
C210 Fe2 C204 106.36(13) . . ?
C207 Fe2 C204 159.02(14) . . ?
C208 Fe2 C204 158.53(14) . . ?
C202 Fe2 C206 164.87(13) . . ?
C201 Fe2 C206 128.88(13) . . ?
C209 Fe2 C206 68.92(13) . . ?
C203 Fe2 C206 154.53(13) . . ?
C210 Fe2 C206 41.12(12) . . ?
C207 Fe2 C206 40.89(12) . . ?
C208 Fe2 C206 68.77(12) . . ?
C204 Fe2 C206 122.12(14) . . ?
C202 Fe2 C205 68.98(14) . . ?
C201 Fe2 C205 40.86(13) . . ?
C209 Fe2 C205 160.36(14) . . ?
C203 Fe2 C205 68.31(14) . . ?
C210 Fe2 C205 126.04(13) . . ?
C207 Fe2 C205 125.18(13) . . ?
C208 Fe2 C205 158.75(14) . . ?
C204 Fe2 C205 40.25(13) . . ?
C206 Fe2 C205 110.97(13) . . ?
C206 P2 C218 106.43(14) . . ?
C206 P2 C212 101.88(14) . . ?
C218 P2 C212 104.61(15) . . ?
C206 P2 Ag2 113.56(10) . . ?
C218 P2 Ag2 115.94(11) . . ?
C212 P2 Ag2 113.07(10) . . ?
C211 C201 C205 125.8(3) . . ?
C211 C201 C202 126.0(3) . . ?
C205 C201 C202 108.1(3) . . ?
C211 C201 Fe2 129.5(2) . . ?
C205 C201 Fe2 70.18(18) . . ?
C202 C201 Fe2 69.37(18) . . ?
C203 C202 C201 107.4(3) . . ?
C203 C202 Fe2 69.90(19) . . ?
C201 C202 Fe2 69.42(18) . . ?
C203 C202 H202 126.3 . . ?
C201 C202 H202 126.3 . . ?
Fe2 C202 H202 126.0 . . ?
C202 C203 C204 108.4(3) . . ?
C202 C203 Fe2 69.65(18) . . ?
C204 C203 Fe2 69.99(19) . . ?
C202 C203 H203 125.8 . . ?
C204 C203 H203 125.8 . . ?
Fe2 C203 H203 126.2 . . ?
C205 C204 C203 108.8(3) . . ?
C205 C204 Fe2 70.14(18) . . ?
C203 C204 Fe2 69.46(18) . . ?
C205 C204 H204 125.6 . . ?
C203 C204 H204 125.6 . . ?
Fe2 C204 H204 126.4 . . ?
C204 C205 C201 107.3(3) . . ?
C204 C205 Fe2 69.61(18) . . ?
C201 C205 Fe2 68.96(18) . . ?
C204 C205 H205 126.3 . . ?
C201 C205 H205 126.3 . . ?
Fe2 C205 H205 126.6 . . ?
C207 C206 C210 107.3(3) . . ?
C207 C206 P2 128.5(2) . . ?
C210 C206 P2 123.9(2) . . ?
C207 C206 Fe2 69.49(17) . . ?
C210 C206 Fe2 69.31(17) . . ?
P2 C206 Fe2 130.97(16) . . ?
C208 C207 C206 108.5(3) . . ?
C208 C207 Fe2 69.72(18) . . ?
C206 C207 Fe2 69.61(17) . . ?
C208 C207 H207 125.7 . . ?
C206 C207 H207 125.7 . . ?
Fe2 C207 H207 126.5 . . ?
C207 C208 C209 108.0(3) . . ?
C207 C208 Fe2 69.72(18) . . ?
C209 C208 Fe2 69.32(18) . . ?
C207 C208 H208 126.0 . . ?
C209 C208 H208 126.0 . . ?
Fe2 C208 H208 126.5 . . ?
C208 C209 C210 108.4(3) . . ?
C208 C209 Fe2 69.93(18) . . ?
C210 C209 Fe2 69.82(18) . . ?
C208 C209 H209 125.8 . . ?
C210 C209 H209 125.8 . . ?
Fe2 C209 H209 126.0 . . ?
C209 C210 C206 107.8(3) . . ?
C209 C210 Fe2 69.35(18) . . ?
C206 C210 Fe2 69.57(17) . . ?
C209 C210 H210 126.1 . . ?
C206 C210 H210 126.1 . . ?
Fe2 C210 H210 126.5 . . ?
N2 C211 C201 176.5(4) . . ?
C213 C212 C217 118.7(3) . . ?
C213 C212 P2 121.4(3) . . ?
C217 C212 P2 119.7(2) . . ?
C214 C213 C212 120.4(3) . . ?
C214 C213 H213 119.8 . . ?
C212 C213 H213 119.8 . . ?
C215 C214 C213 120.5(3) . . ?
C215 C214 H214 119.7 . . ?
C213 C214 H214 119.7 . . ?
C214 C215 C216 119.7(3) . . ?
C214 C215 H215 120.2 . . ?
C216 C215 H215 120.2 . . ?
C215 C216 C217 120.2(4) . . ?
C215 C216 H216 119.9 . . ?
C217 C216 H216 119.9 . . ?
C216 C217 C212 120.4(3) . . ?
C216 C217 H217 119.8 . . ?
C212 C217 H217 119.8 . . ?
C219 C218 C223 118.8(3) . . ?
C219 C218 P2 118.6(3) . . ?
C223 C218 P2 122.5(3) . . ?
C218 C219 C220 120.5(3) . . ?
C218 C219 H219 119.7 . . ?
C220 C219 H219 119.7 . . ?
C221 C220 C219 120.0(4) . . ?
C221 C220 H220 120.0 . . ?
C219 C220 H220 120.0 . . ?
C220 C221 C222 119.6(3) . . ?
C220 C221 H221 120.2 . . ?
C222 C221 H221 120.2 . . ?
C223 C222 C221 120.4(3) . . ?
C223 C222 H222 119.8 . . ?
C221 C222 H222 119.8 . . ?
C222 C223 C218 120.6(3) . . ?
C222 C223 H223 119.7 . . ?
C218 C223 H223 119.7 . . ?
Cl81 C80 Cl83 110.9(2) . . ?
Cl81 C80 Cl82 110.8(3) . . ?
Cl83 C80 Cl82 109.9(2) . . ?
Cl81 C80 H80 108.4 . . ?
Cl83 C80 H80 108.4 . . ?
Cl82 C80 H80 108.4 . . ?
Cl93 C90 Cl92 109.5(2) . . ?
Cl93 C90 Cl91 110.8(2) . . ?
Cl92 C90 Cl91 110.8(2) . . ?
Cl93 C90 H90 108.6 . . ?
Cl92 C90 H90 108.6 . . ?
Cl91 C90 H90 108.6 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.701
_refine_diff_density_min         -1.149
_refine_diff_density_rms         0.103
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks294sq
_database_code_depnum_ccdc_archive 'CCDC 1470458'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7

_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H36 Ag2 Fe2 N4 P2'
_chemical_formula_sum            'C48 H36 Ag2 Fe2 N4 P2'
_chemical_formula_weight         1058.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'


_cell_length_a                   10.9157(2)
_cell_length_b                   33.0460(6)
_cell_length_c                   13.5246(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.5317(7)
_cell_angle_gamma                90.00
_cell_volume                     4878.39(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9584
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      27.47

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2112
_exptl_absorpt_coefficient_mu    1.474
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'


# SQUEEZE RESULTS 
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.000 0.500 -0.000 438 124 ' '
2 0.500 -0.000 0.500 438 124 ' '
_platon_squeeze_details          
;
Unkown amount of solvent molecules (hexane and acetone) used
 for crystallization remains present within channels between
 the angular infinite coordination chains. Attempts to 
 identify and refine these molecules failed.
;


_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            83740
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.627
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11219
_reflns_number_gt                10028
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;


_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0176P)²+3.9167P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11219
_refine_ls_number_parameters     523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_ref         0.0511
_refine_ls_wR_factor_gt          0.0495
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.89333(2) 0.14964(2) 0.03320(2) 0.01924(4) Uani 1 1 d . . . . .
Ag2 Ag 0.64062(2) 0.26344(2) -0.18167(2) 0.03121(4) Uani 1 1 d . . . . .
Fe1 Fe 0.82409(2) 0.06689(2) 0.29710(2) 0.02261(6) Uani 1 1 d . . . . .
P1 P 1.08345(4) 0.12618(2) -0.04256(3) 0.01896(9) Uani 1 1 d . . . . .
N1 N 1.1301(2) 0.02233(7) 0.43560(18) 0.0583(6) Uani 1 1 d . . . . .
C101 C 1.0495(2) 0.17332(6) -0.40756(16) 0.0318(4) Uani 1 1 d . . . . .
C102 C 1.0861(2) 0.19267(6) -0.31677(17) 0.0350(5) Uani 1 1 d . . . . .
H102 H 1.1655 0.2027 -0.3011 0.042 Uiso 1 1 calc R U . . .
C103 C 0.9825(2) 0.19402(6) -0.25513(16) 0.0339(5) Uani 1 1 d . . . . .
H103 H 0.9802 0.2053 -0.1905 0.041 Uiso 1 1 calc R U . . .
C104 C 0.8829(2) 0.17588(6) -0.30566(16) 0.0339(5) Uani 1 1 d . . . . .
H104 H 0.8023 0.1730 -0.2806 0.041 Uiso 1 1 calc R U . . .
C105 C 0.9226(2) 0.16281(6) -0.39935(16) 0.0326(5) Uani 1 1 d . . . . .
H105 H 0.8741 0.1495 -0.4481 0.039 Uiso 1 1 calc R U . . .
C106 C 1.07694(17) 0.10548(6) -0.16618(14) 0.0241(4) Uani 1 1 d . . . . .
C107 C 0.96803(19) 0.08777(6) -0.20795(15) 0.0276(4) Uani 1 1 d . . . . .
H107 H 0.8910 0.0853 -0.1765 0.033 Uiso 1 1 calc R U . . .
C108 C 0.9969(2) 0.07455(6) -0.30550(16) 0.0362(5) Uani 1 1 d . . . . .
H108 H 0.9419 0.0617 -0.3504 0.043 Uiso 1 1 calc R U . . .
C109 C 1.1203(2) 0.08373(6) -0.32400(16) 0.0386(5) Uani 1 1 d . . . . .
H109 H 1.1626 0.0782 -0.3836 0.046 Uiso 1 1 calc R U . . .
C110 C 1.1711(2) 0.10256(6) -0.23891(15) 0.0321(5) Uani 1 1 d . . . . .
H110 H 1.2532 0.1117 -0.2314 0.039 Uiso 1 1 calc R U . . .
C111 C 1.1270(2) 0.16488(7) -0.48934(17) 0.0374(5) Uani 1 1 d . . . . .
C112 C 1.20526(16) 0.16406(6) -0.04199(14) 0.0247(4) Uani 1 1 d . . . . .
C113 C 1.17246(19) 0.20434(6) -0.02992(18) 0.0360(5) Uani 1 1 d . . . . .
H113 H 1.0884 0.2115 -0.0256 0.043 Uiso 1 1 calc R U . . .
C114 C 1.2616(2) 0.23424(7) -0.0241(2) 0.0522(7) Uani 1 1 d . . . . .
H114 H 1.2383 0.2618 -0.0173 0.063 Uiso 1 1 calc R U . . .
C115 C 1.3839(2) 0.22405(8) -0.0280(2) 0.0527(7) Uani 1 1 d . . . . .
H115 H 1.4448 0.2445 -0.0223 0.063 Uiso 1 1 calc R U . . .
C116 C 1.4176(2) 0.18429(7) -0.0401(2) 0.0462(6) Uani 1 1 d . . . . .
H116 H 1.5019 0.1774 -0.0439 0.055 Uiso 1 1 calc R U . . .
C117 C 1.32910(18) 0.15408(7) -0.04686(17) 0.0340(5) Uani 1 1 d . . . . .
H117 H 1.3531 0.1266 -0.0548 0.041 Uiso 1 1 calc R U . . .
C118 C 1.14858(15) 0.08473(5) 0.03068(14) 0.0213(4) Uani 1 1 d . . . . .
C119 C 1.18093(18) 0.09264(6) 0.12870(15) 0.0297(4) Uani 1 1 d . . . . .
H119 H 1.1764 0.1195 0.1534 0.036 Uiso 1 1 calc R U . . .
C120 C 1.21959(19) 0.06160(7) 0.19027(16) 0.0357(5) Uani 1 1 d . . . . .
H120 H 1.2421 0.0673 0.2568 0.043 Uiso 1 1 calc R U . . .
C121 C 1.2256(2) 0.02230(7) 0.15526(17) 0.0389(5) Uani 1 1 d . . . . .
H121 H 1.2525 0.0011 0.1975 0.047 Uiso 1 1 calc R U . . .
C122 C 1.1924(2) 0.01421(7) 0.05932(18) 0.0423(6) Uani 1 1 d . . . . .
H122 H 1.1953 -0.0128 0.0354 0.051 Uiso 1 1 calc R U . . .
C123 C 1.1545(2) 0.04529(6) -0.00332(16) 0.0330(5) Uani 1 1 d . . . . .
H123 H 1.1325 0.0394 -0.0699 0.040 Uiso 1 1 calc R U . . .
Fe2 Fe 1.02576(3) 0.13539(2) -0.29156(2) 0.02405(6) Uani 1 1 d . . . . .
P2 P 0.71204(4) 0.11161(2) 0.08518(3) 0.01797(9) Uani 1 1 d . . . . .
N2 N 1.1888(2) 0.15889(7) -0.55510(16) 0.0529(6) Uani 1 1 d . . . . .
C201 C 0.9503(2) 0.07165(6) 0.40696(15) 0.0328(5) Uani 1 1 d . . . . .
C202 C 0.9549(2) 0.10690(6) 0.34504(15) 0.0333(5) Uani 1 1 d . . . . .
H202 H 1.0234 0.1160 0.3083 0.040 Uiso 1 1 calc R U . . .
C203 C 0.8388(2) 0.12552(6) 0.34891(16) 0.0365(5) Uani 1 1 d . . . . .
H203 H 0.8156 0.1496 0.3154 0.044 Uiso 1 1 calc R U . . .
C204 C 0.7622(2) 0.10219(7) 0.41130(16) 0.0397(5) Uani 1 1 d . . . . .
H204 H 0.6792 0.1080 0.4263 0.048 Uiso 1 1 calc R U . . .
C205 C 0.8303(2) 0.06879(7) 0.44741(15) 0.0374(5) Uani 1 1 d . . . . .
H205 H 0.8015 0.0483 0.4906 0.045 Uiso 1 1 calc R U . . .
C206 C 0.74731(16) 0.06758(5) 0.15906(13) 0.0204(4) Uani 1 1 d . . . . .
C207 C 0.67480(18) 0.04414(6) 0.22556(15) 0.0286(4) Uani 1 1 d . . . . .
H207 H 0.5917 0.0491 0.2418 0.034 Uiso 1 1 calc R U . . .
C208 C 0.7489(2) 0.01213(6) 0.26302(16) 0.0332(5) Uani 1 1 d . . . . .
H208 H 0.7236 -0.0080 0.3086 0.040 Uiso 1 1 calc R U . . .
C209 C 0.8664(2) 0.01536(6) 0.22100(15) 0.0301(4) Uani 1 1 d . . . . .
H209 H 0.9337 -0.0022 0.2335 0.036 Uiso 1 1 calc R U . . .
C210 C 0.86658(17) 0.04933(5) 0.15695(14) 0.0229(4) Uani 1 1 d . . . . .
H210 H 0.9341 0.0584 0.1191 0.027 Uiso 1 1 calc R U . . .
C211 C 1.0499(2) 0.04386(7) 0.42214(17) 0.0407(5) Uani 1 1 d . . . . .
C212 C 0.62305(15) 0.09081(5) -0.01828(14) 0.0216(4) Uani 1 1 d . . . . .
C213 C 0.64543(19) 0.10631(7) -0.11201(15) 0.0331(5) Uani 1 1 d . . . . .
H213 H 0.7035 0.1275 -0.1198 0.040 Uiso 1 1 calc R U . . .
C214 C 0.5836(2) 0.09114(8) -0.19444(17) 0.0474(6) Uani 1 1 d . . . . .
H214 H 0.6004 0.1017 -0.2583 0.057 Uiso 1 1 calc R U . . .
C215 C 0.4980(2) 0.06082(7) -0.18340(18) 0.0450(6) Uani 1 1 d . . . . .
H215 H 0.4558 0.0505 -0.2397 0.054 Uiso 1 1 calc R U . . .
C216 C 0.47355(19) 0.04554(6) -0.09117(17) 0.0343(5) Uani 1 1 d . . . . .
H216 H 0.4137 0.0249 -0.0839 0.041 Uiso 1 1 calc R U . . .
C217 C 0.53589(17) 0.06008(6) -0.00856(16) 0.0269(4) Uani 1 1 d . . . . .
H217 H 0.5193 0.0491 0.0548 0.032 Uiso 1 1 calc R U . . .
C218 C 0.60388(17) 0.14117(6) 0.15758(15) 0.0252(4) Uani 1 1 d . . . . .
C219 C 0.6432(2) 0.17947(6) 0.18843(19) 0.0402(5) Uani 1 1 d . . . . .
H219 H 0.7212 0.1892 0.1689 0.048 Uiso 1 1 calc R U . . .
C220 C 0.5692(3) 0.20327(8) 0.2472(2) 0.0615(8) Uani 1 1 d . . . . .
H220 H 0.5973 0.2289 0.2695 0.074 Uiso 1 1 calc R U . . .
C221 C 0.4540(3) 0.18959(9) 0.2735(3) 0.0673(9) Uani 1 1 d . . . . .
H221 H 0.4019 0.2064 0.3116 0.081 Uiso 1 1 calc R U . . .
C222 C 0.4148(2) 0.15195(9) 0.2448(2) 0.0549(7) Uani 1 1 d . . . . .
H222 H 0.3368 0.1424 0.2647 0.066 Uiso 1 1 calc R U . . .
C223 C 0.48950(19) 0.12785(7) 0.18670(19) 0.0417(6) Uani 1 1 d . . . . .
H223 H 0.4617 0.1018 0.1666 0.050 Uiso 1 1 calc R U . . .
C50 C 0.74543(19) 0.22669(6) -0.09222(16) 0.0306(4) Uani 1 1 d . . . . .
N50 N 0.80543(16) 0.20578(5) -0.04566(14) 0.0343(4) Uani 1 1 d . . . . .
C60 C 0.53456(19) 0.29670(6) -0.27794(15) 0.0308(4) Uani 1 1 d . . . . .
N60 N 0.47586(17) 0.31472(5) -0.33199(13) 0.0342(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N50 2.3411(16) . ?
Ag1 N60 2.3435(17) 4_666 ?
Ag1 P1 2.4489(5) . ?
Ag1 P2 2.4527(5) . ?
Ag2 C60 2.053(2) . ?
Ag2 C50 2.0548(19) . ?
Fe1 C201 2.0228(19) . ?
Fe1 C207 2.0317(19) . ?
Fe1 C205 2.034(2) . ?
Fe1 C208 2.0383(19) . ?
Fe1 C206 2.0393(17) . ?
Fe1 C210 2.0398(19) . ?
Fe1 C209 2.0447(19) . ?
Fe1 C202 2.047(2) . ?
Fe1 C204 2.055(2) . ?
Fe1 C203 2.066(2) . ?
P1 C106 1.8074(19) . ?
P1 C112 1.8262(19) . ?
P1 C118 1.8304(18) . ?
N1 C211 1.141(3) . ?
C101 C111 1.426(3) . ?
C101 C105 1.433(3) . ?
C101 C102 1.438(3) . ?
C101 Fe2 2.027(2) . ?
C102 C103 1.412(3) . ?
C102 Fe2 2.034(2) . ?
C102 H102 0.9500 . ?
C103 C104 1.412(3) . ?
C103 Fe2 2.055(2) . ?
C103 H103 0.9500 . ?
C104 C105 1.411(3) . ?
C104 Fe2 2.062(2) . ?
C104 H104 0.9500 . ?
C105 Fe2 2.045(2) . ?
C105 H105 0.9500 . ?
C106 C110 1.432(3) . ?
C106 C107 1.436(3) . ?
C106 Fe2 2.0363(18) . ?
C107 C108 1.428(3) . ?
C107 Fe2 2.0408(19) . ?
C107 H107 0.9500 . ?
C108 C109 1.406(3) . ?
C108 Fe2 2.044(2) . ?
C108 H108 0.9500 . ?
C109 C110 1.417(3) . ?
C109 Fe2 2.045(2) . ?
C109 H109 0.9500 . ?
C110 Fe2 2.044(2) . ?
C110 H110 0.9500 . ?
C111 N2 1.139(3) . ?
C112 C113 1.388(3) . ?
C112 C117 1.394(3) . ?
C113 C114 1.389(3) . ?
C113 H113 0.9500 . ?
C114 C115 1.378(3) . ?
C114 H114 0.9500 . ?
C115 C116 1.375(4) . ?
C115 H115 0.9500 . ?
C116 C117 1.392(3) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.384(3) . ?
C118 C119 1.394(3) . ?
C119 C120 1.385(3) . ?
C119 H119 0.9500 . ?
C120 C121 1.384(3) . ?
C120 H120 0.9500 . ?
C121 C122 1.370(3) . ?
C121 H121 0.9500 . ?
C122 C123 1.392(3) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
P2 C206 1.8046(18) . ?
P2 C218 1.8244(19) . ?
P2 C212 1.8299(18) . ?
C201 C205 1.427(3) . ?
C201 C202 1.436(3) . ?
C201 C211 1.437(3) . ?
C202 C203 1.410(3) . ?
C202 H202 0.9500 . ?
C203 C204 1.421(3) . ?
C203 H203 0.9500 . ?
C204 C205 1.415(3) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.431(3) . ?
C206 C210 1.435(2) . ?
C207 C208 1.422(3) . ?
C207 H207 0.9500 . ?
C208 C209 1.412(3) . ?
C208 H208 0.9500 . ?
C209 C210 1.418(3) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C213 1.391(3) . ?
C212 C217 1.399(3) . ?
C213 C214 1.391(3) . ?
C213 H213 0.9500 . ?
C214 C215 1.379(3) . ?
C214 H214 0.9500 . ?
C215 C216 1.374(3) . ?
C215 H215 0.9500 . ?
C216 C217 1.389(3) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C223 1.385(3) . ?
C218 C219 1.399(3) . ?
C219 C220 1.384(3) . ?
C219 H219 0.9500 . ?
C220 C221 1.386(4) . ?
C220 H220 0.9500 . ?
C221 C222 1.370(4) . ?
C221 H221 0.9500 . ?
C222 C223 1.389(3) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
C50 N50 1.138(3) . ?
C60 N60 1.136(3) . ?
N60 Ag1 2.3436(17) 4_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N50 Ag1 N60 96.27(6) . 4_666 ?
N50 Ag1 P1 113.93(5) . . ?
N60 Ag1 P1 99.41(5) 4_666 . ?
N50 Ag1 P2 102.02(5) . . ?
N60 Ag1 P2 109.87(5) 4_666 . ?
P1 Ag1 P2 130.300(16) . . ?
C60 Ag2 C50 175.86(8) . . ?
C201 Fe1 C207 156.38(8) . . ?
C201 Fe1 C205 41.18(9) . . ?
C207 Fe1 C205 120.43(9) . . ?
C201 Fe1 C208 120.34(8) . . ?
C207 Fe1 C208 40.90(8) . . ?
C205 Fe1 C208 105.25(9) . . ?
C201 Fe1 C206 160.52(8) . . ?
C207 Fe1 C206 41.17(7) . . ?
C205 Fe1 C206 157.53(8) . . ?
C208 Fe1 C206 69.01(8) . . ?
C201 Fe1 C210 123.06(8) . . ?
C207 Fe1 C210 68.93(8) . . ?
C205 Fe1 C210 158.67(8) . . ?
C208 Fe1 C210 68.40(8) . . ?
C206 Fe1 C210 41.20(7) . . ?
C201 Fe1 C209 106.20(8) . . ?
C207 Fe1 C209 68.65(8) . . ?
C205 Fe1 C209 121.53(9) . . ?
C208 Fe1 C209 40.46(9) . . ?
C206 Fe1 C209 68.98(7) . . ?
C210 Fe1 C209 40.63(8) . . ?
C201 Fe1 C202 41.31(8) . . ?
C207 Fe1 C202 160.73(8) . . ?
C205 Fe1 C202 69.31(9) . . ?
C208 Fe1 C202 157.43(9) . . ?
C206 Fe1 C202 124.21(8) . . ?
C210 Fe1 C202 108.31(8) . . ?
C209 Fe1 C202 122.50(9) . . ?
C201 Fe1 C204 68.30(9) . . ?
C207 Fe1 C204 107.47(9) . . ?
C205 Fe1 C204 40.50(9) . . ?
C208 Fe1 C204 122.64(10) . . ?
C206 Fe1 C204 123.13(8) . . ?
C210 Fe1 C204 159.91(8) . . ?
C209 Fe1 C204 158.20(9) . . ?
C202 Fe1 C204 68.19(10) . . ?
C201 Fe1 C203 68.16(9) . . ?
C207 Fe1 C203 124.60(9) . . ?
C205 Fe1 C203 68.31(9) . . ?
C208 Fe1 C203 159.91(10) . . ?
C206 Fe1 C203 109.26(8) . . ?
C210 Fe1 C203 124.36(8) . . ?
C209 Fe1 C203 159.16(9) . . ?
C202 Fe1 C203 40.11(9) . . ?
C204 Fe1 C203 40.33(9) . . ?
C106 P1 C112 106.61(9) . . ?
C106 P1 C118 103.24(8) . . ?
C112 P1 C118 103.39(8) . . ?
C106 P1 Ag1 118.73(6) . . ?
C112 P1 Ag1 113.64(6) . . ?
C118 P1 Ag1 109.69(6) . . ?
C111 C101 C105 126.4(2) . . ?
C111 C101 C102 125.9(2) . . ?
C105 C101 C102 107.62(19) . . ?
C111 C101 Fe2 124.09(15) . . ?
C105 C101 Fe2 70.10(11) . . ?
C102 C101 Fe2 69.54(12) . . ?
C103 C102 C101 107.50(19) . . ?
C103 C102 Fe2 70.62(12) . . ?
C101 C102 Fe2 68.99(11) . . ?
C103 C102 H102 126.3 . . ?
C101 C102 H102 126.3 . . ?
Fe2 C102 H102 125.7 . . ?
C102 C103 C104 108.54(19) . . ?
C102 C103 Fe2 68.99(12) . . ?
C104 C103 Fe2 70.21(12) . . ?
C102 C103 H103 125.7 . . ?
C104 C103 H103 125.7 . . ?
Fe2 C103 H103 126.6 . . ?
C105 C104 C103 108.84(19) . . ?
C105 C104 Fe2 69.27(11) . . ?
C103 C104 Fe2 69.67(12) . . ?
C105 C104 H104 125.6 . . ?
C103 C104 H104 125.6 . . ?
Fe2 C104 H104 127.1 . . ?
C104 C105 C101 107.49(19) . . ?
C104 C105 Fe2 70.56(12) . . ?
C101 C105 Fe2 68.69(11) . . ?
C104 C105 H105 126.3 . . ?
C101 C105 H105 126.3 . . ?
Fe2 C105 H105 126.1 . . ?
C110 C106 C107 107.40(17) . . ?
C110 C106 P1 129.68(15) . . ?
C107 C106 P1 122.92(15) . . ?
C110 C106 Fe2 69.74(11) . . ?
C107 C106 Fe2 69.54(10) . . ?
P1 C106 Fe2 126.49(10) . . ?
C108 C107 C106 107.42(19) . . ?
C108 C107 Fe2 69.64(11) . . ?
C106 C107 Fe2 69.21(11) . . ?
C108 C107 H107 126.3 . . ?
C106 C107 H107 126.3 . . ?
Fe2 C107 H107 126.4 . . ?
C109 C108 C107 108.56(19) . . ?
C109 C108 Fe2 69.93(12) . . ?
C107 C108 Fe2 69.43(11) . . ?
C109 C108 H108 125.7 . . ?
C107 C108 H108 125.7 . . ?
Fe2 C108 H108 126.5 . . ?
C108 C109 C110 108.56(19) . . ?
C108 C109 Fe2 69.84(12) . . ?
C110 C109 Fe2 69.71(12) . . ?
C108 C109 H109 125.7 . . ?
C110 C109 H109 125.7 . . ?
Fe2 C109 H109 126.3 . . ?
C109 C110 C106 108.06(19) . . ?
C109 C110 Fe2 69.75(12) . . ?
C106 C110 Fe2 69.17(11) . . ?
C109 C110 H110 126.0 . . ?
C106 C110 H110 126.0 . . ?
Fe2 C110 H110 126.7 . . ?
N2 C111 C101 178.7(3) . . ?
C113 C112 C117 118.94(18) . . ?
C113 C112 P1 117.97(14) . . ?
C117 C112 P1 122.96(15) . . ?
C112 C113 C114 120.5(2) . . ?
C112 C113 H113 119.8 . . ?
C114 C113 H113 119.8 . . ?
C115 C114 C113 120.2(2) . . ?
C115 C114 H114 119.9 . . ?
C113 C114 H114 119.9 . . ?
C116 C115 C114 119.9(2) . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C117 120.5(2) . . ?
C115 C116 H116 119.8 . . ?
C117 C116 H116 119.8 . . ?
C116 C117 C112 120.0(2) . . ?
C116 C117 H117 120.0 . . ?
C112 C117 H117 120.0 . . ?
C123 C118 C119 118.74(17) . . ?
C123 C118 P1 122.96(15) . . ?
C119 C118 P1 117.91(14) . . ?
C120 C119 C118 120.40(19) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 120.3(2) . . ?
C121 C120 H120 119.8 . . ?
C119 C120 H120 119.8 . . ?
C122 C121 C120 119.62(19) . . ?
C122 C121 H121 120.2 . . ?
C120 C121 H121 120.2 . . ?
C121 C122 C123 120.5(2) . . ?
C121 C122 H122 119.8 . . ?
C123 C122 H122 119.8 . . ?
C118 C123 C122 120.5(2) . . ?
C118 C123 H123 119.8 . . ?
C122 C123 H123 119.8 . . ?
C101 Fe2 C102 41.47(9) . . ?
C101 Fe2 C106 155.34(8) . . ?
C102 Fe2 C106 120.31(8) . . ?
C101 Fe2 C107 161.47(8) . . ?
C102 Fe2 C107 155.86(9) . . ?
C106 Fe2 C107 41.24(8) . . ?
C101 Fe2 C108 123.90(9) . . ?
C102 Fe2 C108 161.81(9) . . ?
C106 Fe2 C108 68.91(8) . . ?
C107 Fe2 C108 40.92(8) . . ?
C101 Fe2 C110 119.58(9) . . ?
C102 Fe2 C110 107.51(9) . . ?
C106 Fe2 C110 41.09(8) . . ?
C107 Fe2 C110 68.92(8) . . ?
C108 Fe2 C110 68.20(9) . . ?
C101 Fe2 C109 106.37(9) . . ?
C102 Fe2 C109 125.17(10) . . ?
C106 Fe2 C109 68.79(8) . . ?
C107 Fe2 C109 68.55(9) . . ?
C108 Fe2 C109 40.23(10) . . ?
C110 Fe2 C109 40.54(9) . . ?
C101 Fe2 C105 41.21(8) . . ?
C102 Fe2 C105 69.22(9) . . ?
C106 Fe2 C105 162.46(8) . . ?
C107 Fe2 C105 124.45(8) . . ?
C108 Fe2 C105 106.66(9) . . ?
C110 Fe2 C105 154.63(9) . . ?
C109 Fe2 C105 119.51(9) . . ?
C101 Fe2 C103 68.52(9) . . ?
C102 Fe2 C103 40.39(9) . . ?
C106 Fe2 C103 108.66(8) . . ?
C107 Fe2 C103 121.42(9) . . ?
C108 Fe2 C103 156.07(10) . . ?
C110 Fe2 C103 126.59(9) . . ?
C109 Fe2 C103 162.96(10) . . ?
C105 Fe2 C103 68.10(9) . . ?
C101 Fe2 C104 68.23(9) . . ?
C102 Fe2 C104 68.06(9) . . ?
C106 Fe2 C104 126.40(8) . . ?
C107 Fe2 C104 108.33(9) . . ?
C108 Fe2 C104 120.93(9) . . ?
C110 Fe2 C104 163.77(9) . . ?
C109 Fe2 C104 154.78(9) . . ?
C105 Fe2 C104 40.17(9) . . ?
C103 Fe2 C104 40.11(9) . . ?
C206 P2 C218 105.68(9) . . ?
C206 P2 C212 103.27(8) . . ?
C218 P2 C212 105.66(8) . . ?
C206 P2 Ag1 113.78(6) . . ?
C218 P2 Ag1 114.04(6) . . ?
C212 P2 Ag1 113.41(6) . . ?
C205 C201 C202 108.33(19) . . ?
C205 C201 C211 126.8(2) . . ?
C202 C201 C211 124.8(2) . . ?
C205 C201 Fe1 69.84(12) . . ?
C202 C201 Fe1 70.24(11) . . ?
C211 C201 Fe1 124.38(16) . . ?
C203 C202 C201 107.2(2) . . ?
C203 C202 Fe1 70.68(12) . . ?
C201 C202 Fe1 68.45(11) . . ?
C203 C202 H202 126.4 . . ?
C201 C202 H202 126.4 . . ?
Fe1 C202 H202 126.0 . . ?
C202 C203 C204 108.60(19) . . ?
C202 C203 Fe1 69.21(11) . . ?
C204 C203 Fe1 69.41(12) . . ?
C202 C203 H203 125.7 . . ?
C204 C203 H203 125.7 . . ?
Fe1 C203 H203 127.3 . . ?
C205 C204 C203 108.5(2) . . ?
C205 C204 Fe1 68.98(12) . . ?
C203 C204 Fe1 70.26(12) . . ?
C205 C204 H204 125.7 . . ?
C203 C204 H204 125.7 . . ?
Fe1 C204 H204 126.6 . . ?
C204 C205 C201 107.3(2) . . ?
C204 C205 Fe1 70.52(12) . . ?
C201 C205 Fe1 68.98(12) . . ?
C204 C205 H205 126.4 . . ?
C201 C205 H205 126.4 . . ?
Fe1 C205 H205 125.7 . . ?
C207 C206 C210 106.98(16) . . ?
C207 C206 P2 131.91(14) . . ?
C210 C206 P2 121.11(14) . . ?
C207 C206 Fe1 69.13(10) . . ?
C210 C206 Fe1 69.42(10) . . ?
P2 C206 Fe1 126.85(9) . . ?
C208 C207 C206 108.09(18) . . ?
C208 C207 Fe1 69.80(11) . . ?
C206 C207 Fe1 69.70(10) . . ?
C208 C207 H207 126.0 . . ?
C206 C207 H207 126.0 . . ?
Fe1 C207 H207 126.1 . . ?
C209 C208 C207 108.43(18) . . ?
C209 C208 Fe1 70.02(11) . . ?
C207 C208 Fe1 69.30(11) . . ?
C209 C208 H208 125.8 . . ?
C207 C208 H208 125.8 . . ?
Fe1 C208 H208 126.5 . . ?
C208 C209 C210 108.21(17) . . ?
C208 C209 Fe1 69.53(12) . . ?
C210 C209 Fe1 69.50(11) . . ?
C208 C209 H209 125.9 . . ?
C210 C209 H209 125.9 . . ?
Fe1 C209 H209 126.6 . . ?
C209 C210 C206 108.30(17) . . ?
C209 C210 Fe1 69.87(11) . . ?
C206 C210 Fe1 69.38(10) . . ?
C209 C210 H210 125.9 . . ?
C206 C210 H210 125.9 . . ?
Fe1 C210 H210 126.5 . . ?
N1 C211 C201 178.6(3) . . ?
C213 C212 C217 118.58(17) . . ?
C213 C212 P2 117.52(14) . . ?
C217 C212 P2 123.89(15) . . ?
C212 C213 C214 120.6(2) . . ?
C212 C213 H213 119.7 . . ?
C214 C213 H213 119.7 . . ?
C215 C214 C213 119.9(2) . . ?
C215 C214 H214 120.0 . . ?
C213 C214 H214 120.0 . . ?
C216 C215 C214 120.2(2) . . ?
C216 C215 H215 119.9 . . ?
C214 C215 H215 119.9 . . ?
C215 C216 C217 120.3(2) . . ?
C215 C216 H216 119.8 . . ?
C217 C216 H216 119.8 . . ?
C216 C217 C212 120.29(19) . . ?
C216 C217 H217 119.9 . . ?
C212 C217 H217 119.9 . . ?
C223 C218 C219 118.53(19) . . ?
C223 C218 P2 124.91(16) . . ?
C219 C218 P2 116.51(15) . . ?
C220 C219 C218 120.4(2) . . ?
C220 C219 H219 119.8 . . ?
C218 C219 H219 119.8 . . ?
C219 C220 C221 119.9(2) . . ?
C219 C220 H220 120.1 . . ?
C221 C220 H220 120.1 . . ?
C222 C221 C220 120.3(2) . . ?
C222 C221 H221 119.9 . . ?
C220 C221 H221 119.9 . . ?
C221 C222 C223 119.9(2) . . ?
C221 C222 H222 120.1 . . ?
C223 C222 H222 120.1 . . ?
C218 C223 C222 120.9(2) . . ?
C218 C223 H223 119.5 . . ?
C222 C223 H223 119.5 . . ?
N50 C50 Ag2 177.5(2) . . ?
C50 N50 Ag1 164.68(17) . . ?
N60 C60 Ag2 179.2(2) . . ?
C60 N60 Ag1 167.00(18) . 4_565 ?

_refine_diff_density_max         0.361
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.057
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks289sq
_database_code_depnum_ccdc_archive 'CCDC 1470459'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C96 H68 Ag4 Fe4 N8 P4 S4'
_chemical_formula_sum            'C96 H68 Ag4 Fe4 N8 P4 S4'
_chemical_formula_weight         2240.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   13.0647(3)
_cell_length_b                   22.9434(5)
_cell_length_c                   33.3549(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.9680(10)
_cell_angle_gamma                90.00
_cell_volume                     9815.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9924
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      25.97

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4464
_exptl_absorpt_coefficient_mu    1.551
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.5758
_exptl_absorpt_correction_T_max  0.8859

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.248 0.846 0.089 148 61 ' '
2 -0.045 0.341 0.419 141 59 ' '
3 0.045 0.659 0.581 141 59 ' '
4 -0.249 0.153 0.911 149 61 ' '
5 0.251 0.846 0.411 148 61 ' '
6 0.166 0.125 0.015 7 0 ' '
7 0.455 0.659 0.919 141 59 ' '
8 0.333 0.125 0.485 8 0 ' '
9 0.545 0.341 0.081 141 59 ' '
10 0.749 0.153 0.589 148 61 ' '
11 0.666 0.875 0.515 7 0 ' '
12 0.833 0.875 0.985 8 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The compound crystallizes as a chloroform solvate
with disordered solvent molecules.
;


_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58781
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.08
_diffrn_reflns_theta_max         26.00
_reflns_number_total             19262
_reflns_number_gt                14831
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2014.11.0.1'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0616P)²+12.5900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19262
_refine_ls_number_parameters     1082
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1311
_refine_ls_wR_factor_gt          0.1223
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.06596(3) 0.825051(18) 0.783958(13) 0.03126(10) Uani 1 1 d . . .
S10 S 0.23984(10) 0.81908(5) 0.66464(4) 0.0262(3) Uani 1 1 d . . .
N10 N 0.1195(4) 0.80815(19) 0.72594(14) 0.0317(10) Uani 1 1 d . . .
C10 C 0.1702(4) 0.8130(2) 0.70101(16) 0.0239(11) Uani 1 1 d . . .
Ag2 Ag 0.26275(3) 0.933755(17) 0.666999(11) 0.02829(10) Uani 1 1 d . . .
S20 S 0.06117(10) 0.94030(5) 0.77799(4) 0.0257(3) Uani 1 1 d . . .
N20 N 0.1503(3) 0.95782(19) 0.70815(13) 0.0274(9) Uani 1 1 d . . .
C20 C 0.1148(4) 0.9504(2) 0.73713(16) 0.0242(11) Uani 1 1 d . . .
Ag3 Ag 0.53366(3) 0.324227(18) 0.713359(13) 0.03480(11) Uani 1 1 d . . .
S30 S 0.81616(11) 0.31909(6) 0.83501(4) 0.0304(3) Uani 1 1 d . . .
N30 N 0.6409(4) 0.30597(19) 0.77232(14) 0.0335(10) Uani 1 1 d . . .
C30 C 0.7133(4) 0.3120(2) 0.79761(16) 0.0250(11) Uani 1 1 d . . .
Ag4 Ag 0.83730(4) 0.433265(19) 0.831791(12) 0.03844(12) Uani 1 1 d . . .
S40 S 0.53170(11) 0.43965(6) 0.72058(4) 0.0323(3) Uani 1 1 d . . .
N40 N 0.6865(4) 0.4572(2) 0.79086(15) 0.0375(11) Uani 1 1 d . . .
C40 C 0.6240(5) 0.4497(2) 0.76240(17) 0.0324(12) Uani 1 1 d . . .
Fe1 Fe 0.02274(6) 0.63864(3) 0.78426(2) 0.02929(18) Uani 1 1 d . . .
P1 P -0.04536(10) 0.77259(6) 0.82032(4) 0.0266(3) Uani 1 1 d . . .
N1 N 0.0172(8) 0.5598(4) 0.6737(3) 0.119(4) Uani 1 1 d . . .
C101 C 0.1036(5) 0.6039(3) 0.7440(2) 0.0463(17) Uani 1 1 d . . .
C102 C 0.1320(4) 0.5753(2) 0.7825(2) 0.0422(15) Uani 1 1 d . . .
H102 H 0.1246 0.5350 0.7878 0.051 Uiso 1 1 calc R . .
C103 C 0.1735(4) 0.6187(3) 0.8114(2) 0.0433(15) Uani 1 1 d . . .
H103 H 0.1988 0.6126 0.8397 0.052 Uiso 1 1 calc R . .
C104 C 0.1709(4) 0.6726(3) 0.7908(2) 0.0417(15) Uani 1 1 d . . .
H104 H 0.1952 0.7087 0.8030 0.050 Uiso 1 1 calc R . .
C105 C 0.1265(5) 0.6644(3) 0.7491(2) 0.0442(15) Uani 1 1 d . . .
H105 H 0.1142 0.6935 0.7285 0.053 Uiso 1 1 calc R . .
C106 C -0.0739(4) 0.6981(2) 0.80408(16) 0.0281(11) Uani 1 1 d . . .
C107 C -0.1098(4) 0.6824(3) 0.76258(18) 0.0385(13) Uani 1 1 d . . .
H107 H -0.1194 0.7083 0.7399 0.046 Uiso 1 1 calc R . .
C108 C -0.1287(4) 0.6216(3) 0.7608(2) 0.0421(15) Uani 1 1 d . . .
H108 H -0.1540 0.6000 0.7366 0.051 Uiso 1 1 calc R . .
C109 C -0.1043(4) 0.5984(3) 0.8001(2) 0.0377(14) Uani 1 1 d . . .
H109 H -0.1105 0.5587 0.8075 0.045 Uiso 1 1 calc R . .
C110 C -0.0683(4) 0.6453(2) 0.82742(18) 0.0326(12) Uani 1 1 d . . .
H110 H -0.0446 0.6420 0.8561 0.039 Uiso 1 1 calc R . .
C111 C 0.0544(7) 0.5781(4) 0.7060(3) 0.073(3) Uani 1 1 d . . .
C112 C -0.1741(4) 0.8050(3) 0.81634(16) 0.0322(12) Uani 1 1 d . . .
C113 C -0.2584(4) 0.7733(3) 0.8246(2) 0.0431(15) Uani 1 1 d . . .
C114 C -0.3547(5) 0.7996(3) 0.8210(2) 0.0559(19) Uani 1 1 d . . .
H114 H -0.4128 0.7779 0.8260 0.067 Uiso 1 1 calc R . .
C115 C -0.3665(6) 0.8570(4) 0.8101(2) 0.060(2) Uani 1 1 d . . .
H115 H -0.4331 0.8748 0.8075 0.072 Uiso 1 1 calc R . .
C116 C -0.2835(6) 0.8894(4) 0.8030(3) 0.081(3) Uani 1 1 d . . .
H116 H -0.2914 0.9297 0.7966 0.097 Uiso 1 1 calc R . .
C117 C -0.1884(6) 0.8622(3) 0.8051(3) 0.069(2) Uani 1 1 d . . .
H117 H -0.1315 0.8838 0.7987 0.083 Uiso 1 1 calc R . .
C118 C 0.0062(4) 0.7680(2) 0.87470(17) 0.0314(12) Uani 1 1 d . . .
C119 C 0.0993(5) 0.7382(3) 0.88858(18) 0.0421(15) Uani 1 1 d . . .
H119 H 0.1319 0.7175 0.8698 0.051 Uiso 1 1 calc R . .
C120 C 0.1443(6) 0.7386(3) 0.9297(2) 0.0543(18) Uani 1 1 d . . .
H120 H 0.2065 0.7170 0.9388 0.065 Uiso 1 1 calc R . .
C121 C 0.1018(7) 0.7690(3) 0.9572(2) 0.060(2) Uani 1 1 d . . .
H121 H 0.1353 0.7703 0.9851 0.072 Uiso 1 1 calc R . .
C122 C 0.0084(7) 0.7983(3) 0.9441(2) 0.062(2) Uani 1 1 d . . .
H122 H -0.0231 0.8186 0.9633 0.074 Uiso 1 1 calc R . .
C123 C -0.0398(5) 0.7982(2) 0.90300(17) 0.0384(14) Uani 1 1 d . . .
H123 H -0.1035 0.8186 0.8944 0.046 Uiso 1 1 calc R . .
Fe2 Fe 0.02706(6) 0.91086(3) 0.55776(2) 0.02724(17) Uani 1 1 d . . .
P2 P 0.26230(10) 0.97129(5) 0.59991(4) 0.0225(3) Uani 1 1 d . . .
N2 N -0.1756(7) 0.7709(4) 0.5397(2) 0.103(3) Uani 1 1 d . . .
C201 C -0.1009(5) 0.8685(3) 0.56880(18) 0.0403(14) Uani 1 1 d . . .
C202 C -0.0276(5) 0.8771(3) 0.60653(17) 0.0376(14) Uani 1 1 d . . .
H202 H 0.0050 0.8473 0.6243 0.045 Uiso 1 1 calc R . .
C203 C -0.0133(5) 0.9371(3) 0.61214(18) 0.0392(14) Uani 1 1 d . . .
H203 H 0.0304 0.9552 0.6347 0.047 Uiso 1 1 calc R . .
C204 C -0.0756(5) 0.9667(3) 0.57825(19) 0.0427(15) Uani 1 1 d . . .
H204 H -0.0801 1.0077 0.5745 0.051 Uiso 1 1 calc R . .
C205 C -0.1291(4) 0.9245(3) 0.55144(19) 0.0451(16) Uani 1 1 d . . .
H205 H -0.1755 0.9319 0.5264 0.054 Uiso 1 1 calc R . .
C206 C 0.1784(4) 0.9327(2) 0.55889(15) 0.0248(11) Uani 1 1 d . . .
C207 C 0.1137(4) 0.9570(2) 0.52364(15) 0.0287(11) Uani 1 1 d . . .
H207 H 0.1065 0.9972 0.5169 0.034 Uiso 1 1 calc R . .
C208 C 0.0618(4) 0.9101(2) 0.50047(16) 0.0317(12) Uani 1 1 d . . .
H208 H 0.0131 0.9137 0.4755 0.038 Uiso 1 1 calc R . .
C209 C 0.0944(5) 0.8576(2) 0.52044(16) 0.0357(13) Uani 1 1 d . . .
H209 H 0.0722 0.8196 0.5112 0.043 Uiso 1 1 calc R . .
C210 C 0.1669(4) 0.8711(2) 0.55694(16) 0.0311(12) Uani 1 1 d . . .
H210 H 0.2012 0.8438 0.5764 0.037 Uiso 1 1 calc R . .
C211 C -0.1416(6) 0.8146(3) 0.5523(2) 0.065(2) Uani 1 1 d . . .
C212 C 0.3909(4) 0.9702(2) 0.58574(17) 0.0324(12) Uani 1 1 d . . .
C213 C 0.4751(5) 0.9871(4) 0.6154(2) 0.064(2) Uani 1 1 d . . .
C214 C 0.5747(6) 0.9858(5) 0.6075(3) 0.081(3) Uani 1 1 d . . .
H214 H 0.6318 0.9978 0.6280 0.098 Uiso 1 1 calc R . .
C215 C 0.5919(6) 0.9671(4) 0.5699(3) 0.072(2) Uani 1 1 d . . .
H215 H 0.6608 0.9656 0.5647 0.086 Uiso 1 1 calc R . .
C216 C 0.5072(6) 0.9504(3) 0.5395(3) 0.066(2) Uani 1 1 d . . .
H216 H 0.5184 0.9381 0.5135 0.080 Uiso 1 1 calc R . .
C217 C 0.4064(5) 0.9520(3) 0.5477(2) 0.0466(16) Uani 1 1 d . . .
H217 H 0.3486 0.9407 0.5274 0.056 Uiso 1 1 calc R . .
C218 C 0.2178(4) 1.0467(2) 0.59118(15) 0.0301(12) Uani 1 1 d . . .
C219 C 0.1459(4) 1.0676(2) 0.6140(2) 0.0390(14) Uani 1 1 d . . .
H219 H 0.1245 1.0436 0.6341 0.047 Uiso 1 1 calc R . .
C220 C 0.1057(5) 1.1240(3) 0.6070(2) 0.055(2) Uani 1 1 d . . .
H220 H 0.0559 1.1384 0.6219 0.066 Uiso 1 1 calc R . .
C221 C 0.1396(6) 1.1588(3) 0.5778(3) 0.063(2) Uani 1 1 d . . .
H221 H 0.1120 1.1969 0.5725 0.076 Uiso 1 1 calc R . .
C222 C 0.2113(6) 1.1387(3) 0.5570(2) 0.055(2) Uani 1 1 d . . .
H222 H 0.2344 1.1633 0.5376 0.066 Uiso 1 1 calc R . .
C223 C 0.2518(5) 1.0831(2) 0.56329(18) 0.0425(15) Uani 1 1 d . . .
H223 H 0.3028 1.0699 0.5485 0.051 Uiso 1 1 calc R . .
Fe3 Fe 0.48796(6) 0.13774(3) 0.71246(3) 0.03234(19) Uani 1 1 d . . .
P3 P 0.38565(10) 0.27259(6) 0.67709(4) 0.0288(3) Uani 1 1 d . . .
N3 N 0.5935(8) 0.0479(6) 0.8187(3) 0.155(5) Uani 1 1 d . . .
C301 C 0.6088(5) 0.1002(3) 0.7511(2) 0.0533(19) Uani 1 1 d . . .
C302 C 0.6269(4) 0.1606(3) 0.7472(2) 0.0490(17) Uani 1 1 d . . .
H302 H 0.6359 0.1887 0.7684 0.059 Uiso 1 1 calc R . .
C303 C 0.6292(4) 0.1708(3) 0.7061(2) 0.0454(16) Uani 1 1 d . . .
H303 H 0.6414 0.2075 0.6947 0.054 Uiso 1 1 calc R . .
C304 C 0.6106(5) 0.1187(3) 0.6842(2) 0.0521(18) Uani 1 1 d . . .
H304 H 0.6075 0.1142 0.6557 0.063 Uiso 1 1 calc R . .
C305 C 0.5972(5) 0.0737(3) 0.7119(3) 0.0531(19) Uani 1 1 d . . .
H305 H 0.5833 0.0338 0.7055 0.064 Uiso 1 1 calc R . .
C306 C 0.3736(4) 0.1984(2) 0.69384(17) 0.0311(12) Uani 1 1 d . . .
C307 C 0.3523(4) 0.1463(2) 0.67028(19) 0.0364(13) Uani 1 1 d . . .
H307 H 0.3447 0.1434 0.6414 0.044 Uiso 1 1 calc R . .
C308 C 0.3445(4) 0.0992(3) 0.69775(19) 0.0378(14) Uani 1 1 d . . .
H308 H 0.3306 0.0596 0.6904 0.045 Uiso 1 1 calc R . .
C309 C 0.3609(4) 0.1221(3) 0.7376(2) 0.0462(16) Uani 1 1 d . . .
H309 H 0.3604 0.1005 0.7618 0.055 Uiso 1 1 calc R . .
C310 C 0.3781(4) 0.1825(3) 0.73537(18) 0.0386(14) Uani 1 1 d . . .
H310 H 0.3907 0.2084 0.7580 0.046 Uiso 1 1 calc R . .
C311 C 0.6001(7) 0.0698(4) 0.7878(3) 0.086(3) Uani 1 1 d . . .
C312 C 0.3800(4) 0.2666(2) 0.62205(17) 0.0339(13) Uani 1 1 d . . .
C313 C 0.2964(6) 0.2902(2) 0.59429(18) 0.0442(15) Uani 1 1 d . . .
C314 C 0.3007(7) 0.2865(3) 0.5520(2) 0.061(2) Uani 1 1 d . . .
H314 H 0.2457 0.3026 0.5324 0.074 Uiso 1 1 calc R . .
C315 C 0.3824(7) 0.2604(3) 0.5393(2) 0.060(2) Uani 1 1 d . . .
H315 H 0.3831 0.2581 0.5109 0.072 Uiso 1 1 calc R . .
C316 C 0.4642(6) 0.2371(4) 0.5669(2) 0.071(2) Uani 1 1 d . . .
H316 H 0.5209 0.2189 0.5578 0.085 Uiso 1 1 calc R . .
C317 C 0.4621(5) 0.2408(4) 0.6081(2) 0.059(2) Uani 1 1 d . . .
H317 H 0.5186 0.2253 0.6273 0.071 Uiso 1 1 calc R . .
C318 C 0.2618(4) 0.3053(3) 0.68249(17) 0.0370(13) Uani 1 1 d . . .
C319 C 0.2583(6) 0.3629(4) 0.6924(3) 0.098(4) Uani 1 1 d . . .
H319 H 0.3206 0.3853 0.6969 0.117 Uiso 1 1 calc R . .
C320 C 0.1650(7) 0.3890(5) 0.6959(4) 0.120(5) Uani 1 1 d . . .
H320 H 0.1635 0.4294 0.7022 0.144 Uiso 1 1 calc R . .
C321 C 0.0763(6) 0.3578(5) 0.6905(2) 0.072(3) Uani 1 1 d . . .
H321 H 0.0126 0.3757 0.6934 0.086 Uiso 1 1 calc R . .
C322 C 0.0788(5) 0.3006(4) 0.6808(2) 0.064(2) Uani 1 1 d . . .
H322 H 0.0162 0.2785 0.6768 0.076 Uiso 1 1 calc R . .
C323 C 0.1695(5) 0.2743(3) 0.6766(2) 0.0549(19) Uani 1 1 d . . .
H323 H 0.1694 0.2341 0.6695 0.066 Uiso 1 1 calc R . .
Fe4 Fe 0.71600(7) 0.41388(4) 0.94264(3) 0.0441(2) Uani 1 1 d . . .
P4 P 0.90720(11) 0.47196(6) 0.89775(4) 0.0299(3) Uani 1 1 d . . .
N4 N 0.5535(9) 0.2701(4) 0.9640(4) 0.159(5) Uani 1 1 d . . .
C401 C 0.5803(6) 0.3704(3) 0.9330(2) 0.061(2) Uani 1 1 d . . .
C402 C 0.5679(6) 0.4250(4) 0.9508(3) 0.077(3) Uani 1 1 d . . .
H402 H 0.5471 0.4316 0.9762 0.092 Uiso 1 1 calc R . .
C403 C 0.5921(6) 0.4681(4) 0.9238(3) 0.075(3) Uani 1 1 d . . .
H403 H 0.5908 0.5090 0.9282 0.090 Uiso 1 1 calc R . .
C404 C 0.6171(6) 0.4420(4) 0.8911(3) 0.075(3) Uani 1 1 d . . .
H404 H 0.6359 0.4617 0.8685 0.090 Uiso 1 1 calc R . .
C405 C 0.6113(6) 0.3794(4) 0.8953(2) 0.070(2) Uani 1 1 d . . .
H405 H 0.6253 0.3505 0.8766 0.084 Uiso 1 1 calc R . .
C406 C 0.8663(5) 0.4351(2) 0.93958(15) 0.0351(13) Uani 1 1 d . . .
C407 C 0.8549(6) 0.3729(3) 0.94255(19) 0.0481(16) Uani 1 1 d . . .
H407 H 0.8688 0.3447 0.9234 0.058 Uiso 1 1 calc R . .
C408 C 0.8188(6) 0.3615(3) 0.9797(2) 0.0565(19) Uani 1 1 d . . .
H408 H 0.8043 0.3240 0.9893 0.068 Uiso 1 1 calc R . .
C409 C 0.8079(6) 0.4151(3) 0.99984(19) 0.0554(19) Uani 1 1 d . . .
H409 H 0.7854 0.4198 1.0251 0.067 Uiso 1 1 calc R . .
C410 C 0.8373(5) 0.4604(3) 0.97504(18) 0.0436(15) Uani 1 1 d . . .
H410 H 0.8375 0.5008 0.9811 0.052 Uiso 1 1 calc R . .
C411 C 0.5652(8) 0.3150(4) 0.9494(3) 0.092(3) Uani 1 1 d . . .
C412 C 1.0502(5) 0.4696(3) 0.90987(17) 0.0373(13) Uani 1 1 d . . .
C413 C 1.1027(6) 0.4951(4) 0.8822(2) 0.062(2) Uani 1 1 d . . .
C414 C 1.2104(6) 0.4913(4) 0.8885(3) 0.078(3) Uani 1 1 d . . .
H414 H 1.2474 0.5089 0.8697 0.093 Uiso 1 1 calc R . .
C415 C 1.2645(6) 0.4614(4) 0.9226(3) 0.073(2) Uani 1 1 d . . .
H415 H 1.3384 0.4590 0.9270 0.088 Uiso 1 1 calc R . .
C416 C 1.2120(6) 0.4356(3) 0.9497(3) 0.060(2) Uani 1 1 d . . .
H416 H 1.2493 0.4148 0.9725 0.072 Uiso 1 1 calc R . .
C417 C 1.1037(5) 0.4399(3) 0.9437(2) 0.0483(16) Uani 1 1 d . . .
H417 H 1.0669 0.4226 0.9627 0.058 Uiso 1 1 calc R . .
C418 C 0.8744(4) 0.5474(2) 0.90662(16) 0.0312(12) Uani 1 1 d . . .
C419 C 0.7813(5) 0.5704(3) 0.88435(18) 0.0388(14) Uani 1 1 d . . .
H419 H 0.7389 0.5476 0.8639 0.047 Uiso 1 1 calc R . .
C420 C 0.7509(5) 0.6270(3) 0.8922(2) 0.0543(19) Uani 1 1 d . . .
H420 H 0.6879 0.6429 0.8774 0.065 Uiso 1 1 calc R . .
C421 C 0.8147(6) 0.6597(3) 0.9222(2) 0.058(2) Uani 1 1 d . . .
H421 H 0.7943 0.6980 0.9281 0.069 Uiso 1 1 calc R . .
C422 C 0.9069(6) 0.6373(3) 0.9434(2) 0.0529(18) Uani 1 1 d . . .
H422 H 0.9498 0.6603 0.9635 0.063 Uiso 1 1 calc R . .
C423 C 0.9370(5) 0.5820(3) 0.93568(19) 0.0427(15) Uani 1 1 d . . .
H423 H 1.0013 0.5671 0.9503 0.051 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N10 2.213(4) . ?
Ag1 P1 2.3887(13) . ?
Ag1 S20 2.6515(13) . ?
Ag1 S10 2.7821(14) 2_556 ?
S10 C10 1.655(5) . ?
S10 Ag2 2.6474(13) . ?
S10 Ag1 2.7821(14) 2_556 ?
N10 C10 1.163(7) . ?
Ag2 N20 2.262(4) . ?
Ag2 P2 2.3968(13) . ?
Ag2 S20 2.6600(13) 2_556 ?
S20 C20 1.663(5) . ?
S20 Ag2 2.6600(13) 2_556 ?
N20 C20 1.161(6) . ?
Ag3 N30 2.226(5) . ?
Ag3 P3 2.3910(14) . ?
Ag3 S40 2.6597(14) . ?
Ag3 S30 2.7695(15) 2_656 ?
S30 C30 1.658(5) . ?
S30 Ag4 2.6384(14) . ?
S30 Ag3 2.7695(15) 2_656 ?
N30 C30 1.150(7) . ?
Ag4 N40 2.242(5) . ?
Ag4 P4 2.3872(14) . ?
Ag4 S40 2.6720(16) 2_656 ?
S40 C40 1.677(6) . ?
S40 Ag4 2.6720(16) 2_656 ?
N40 C40 1.142(7) . ?
Fe1 C107 2.013(6) . ?
Fe1 C108 2.022(6) . ?
Fe1 C101 2.024(6) . ?
Fe1 C110 2.040(5) . ?
Fe1 C105 2.041(6) . ?
Fe1 C102 2.045(6) . ?
Fe1 C106 2.051(5) . ?
Fe1 C109 2.055(5) . ?
Fe1 C103 2.057(6) . ?
Fe1 C104 2.060(5) . ?
P1 C106 1.811(6) . ?
P1 C118 1.814(6) . ?
P1 C112 1.820(5) . ?
N1 C111 1.174(11) . ?
C101 C105 1.424(9) . ?
C101 C102 1.427(10) . ?
C101 C111 1.434(10) . ?
C102 C103 1.419(9) . ?
C102 H102 0.9500 . ?
C103 C104 1.411(9) . ?
C103 H103 0.9500 . ?
C104 C105 1.414(9) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.420(8) . ?
C106 C110 1.434(7) . ?
C107 C108 1.417(9) . ?
C107 H107 0.9500 . ?
C108 C109 1.396(9) . ?
C108 H108 0.9500 . ?
C109 C110 1.430(8) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C117 1.369(9) . ?
C112 C113 1.391(8) . ?
C113 C114 1.380(9) . ?
C114 C115 1.367(11) . ?
C114 H114 0.9500 . ?
C115 C116 1.371(12) . ?
C115 H115 0.9500 . ?
C116 C117 1.379(9) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.396(8) . ?
C118 C123 1.396(8) . ?
C119 C120 1.386(9) . ?
C119 H119 0.9500 . ?
C120 C121 1.353(10) . ?
C120 H120 0.9500 . ?
C121 C122 1.388(11) . ?
C121 H121 0.9500 . ?
C122 C123 1.394(9) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Fe2 C201 2.028(6) . ?
Fe2 C206 2.034(5) . ?
Fe2 C205 2.035(6) . ?
Fe2 C207 2.046(5) . ?
Fe2 C208 2.047(5) . ?
Fe2 C210 2.047(6) . ?
Fe2 C202 2.049(5) . ?
Fe2 C209 2.059(6) . ?
Fe2 C204 2.062(6) . ?
Fe2 C203 2.072(6) . ?
P2 C206 1.813(5) . ?
P2 C212 1.830(5) . ?
P2 C218 1.831(5) . ?
N2 C211 1.145(9) . ?
C201 C211 1.414(9) . ?
C201 C205 1.428(9) . ?
C201 C202 1.442(8) . ?
C202 C203 1.397(9) . ?
C202 H202 0.9500 . ?
C203 C204 1.432(9) . ?
C203 H203 0.9500 . ?
C204 C205 1.410(9) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C210 1.423(7) . ?
C206 C207 1.425(7) . ?
C207 C208 1.419(7) . ?
C207 H207 0.9500 . ?
C208 C209 1.404(8) . ?
C208 H208 0.9500 . ?
C209 C210 1.427(8) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C217 1.386(8) . ?
C212 C213 1.387(9) . ?
C213 C214 1.375(10) . ?
C214 C215 1.384(12) . ?
C214 H214 0.9500 . ?
C215 C216 1.406(12) . ?
C215 H215 0.9500 . ?
C216 C217 1.396(10) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C223 1.384(8) . ?
C218 C219 1.402(8) . ?
C219 C220 1.399(8) . ?
C219 H219 0.9500 . ?
C220 C221 1.395(11) . ?
C220 H220 0.9500 . ?
C221 C222 1.348(11) . ?
C221 H221 0.9500 . ?
C222 C223 1.382(9) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
Fe3 C302 2.027(6) . ?
Fe3 C310 2.028(6) . ?
Fe3 C309 2.029(6) . ?
Fe3 C301 2.029(6) . ?
Fe3 C303 2.042(6) . ?
Fe3 C308 2.046(5) . ?
Fe3 C306 2.049(5) . ?
Fe3 C305 2.051(6) . ?
Fe3 C307 2.052(6) . ?
Fe3 C304 2.054(7) . ?
P3 C306 1.808(6) . ?
P3 C318 1.824(6) . ?
P3 C312 1.828(6) . ?
N3 C311 1.164(12) . ?
C301 C302 1.415(9) . ?
C301 C305 1.422(11) . ?
C301 C311 1.434(12) . ?
C302 C303 1.396(10) . ?
C302 H302 0.9500 . ?
C303 C304 1.396(9) . ?
C303 H303 0.9500 . ?
C304 C305 1.418(10) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 C310 1.423(8) . ?
C306 C307 1.427(8) . ?
C307 C308 1.433(8) . ?
C307 H307 0.9500 . ?
C308 C309 1.406(9) . ?
C308 H308 0.9500 . ?
C309 C310 1.407(9) . ?
C309 H309 0.9500 . ?
C310 H310 0.9500 . ?
C312 C317 1.380(9) . ?
C312 C313 1.400(9) . ?
C313 C314 1.425(9) . ?
C314 C315 1.360(11) . ?
C314 H314 0.9500 . ?
C315 C316 1.380(12) . ?
C315 H315 0.9500 . ?
C316 C317 1.382(10) . ?
C316 H316 0.9500 . ?
C317 H317 0.9500 . ?
C318 C319 1.365(10) . ?
C318 C323 1.383(9) . ?
C319 C320 1.383(11) . ?
C319 H319 0.9500 . ?
C320 C321 1.345(13) . ?
C320 H320 0.9500 . ?
C321 C322 1.353(12) . ?
C321 H321 0.9500 . ?
C322 C323 1.360(9) . ?
C322 H322 0.9500 . ?
C323 H323 0.9500 . ?
Fe4 C401 2.006(7) . ?
Fe4 C402 2.022(8) . ?
Fe4 C408 2.036(7) . ?
Fe4 C410 2.041(6) . ?
Fe4 C405 2.042(7) . ?
Fe4 C403 2.044(8) . ?
Fe4 C406 2.044(6) . ?
Fe4 C407 2.044(7) . ?
Fe4 C404 2.049(7) . ?
Fe4 C409 2.052(6) . ?
P4 C406 1.797(6) . ?
P4 C418 1.820(6) . ?
P4 C412 1.836(6) . ?
N4 C411 1.162(11) . ?
C401 C405 1.409(11) . ?
C401 C402 1.410(12) . ?
C401 C411 1.411(11) . ?
C402 C403 1.414(11) . ?
C402 H402 0.9500 . ?
C403 C404 1.339(13) . ?
C403 H403 0.9500 . ?
C404 C405 1.448(12) . ?
C404 H404 0.9500 . ?
C405 H405 0.9500 . ?
C406 C410 1.431(8) . ?
C406 C407 1.441(8) . ?
C407 C408 1.431(9) . ?
C407 H407 0.9500 . ?
C408 C409 1.422(10) . ?
C408 H408 0.9500 . ?
C409 C410 1.426(9) . ?
C409 H409 0.9500 . ?
C410 H410 0.9500 . ?
C412 C413 1.381(10) . ?
C412 C417 1.389(8) . ?
C413 C414 1.385(10) . ?
C414 C415 1.399(12) . ?
C414 H414 0.9500 . ?
C415 C416 1.368(12) . ?
C415 H415 0.9500 . ?
C416 C417 1.394(10) . ?
C416 H416 0.9500 . ?
C417 H417 0.9500 . ?
C418 C423 1.393(8) . ?
C418 C419 1.403(8) . ?
C419 C420 1.398(9) . ?
C419 H419 0.9500 . ?
C420 C421 1.392(11) . ?
C420 H420 0.9500 . ?
C421 C422 1.375(11) . ?
C421 H421 0.9500 . ?
C422 C423 1.366(9) . ?
C422 H422 0.9500 . ?
C423 H423 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N10 Ag1 P1 132.82(12) . . ?
N10 Ag1 S20 96.65(12) . . ?
P1 Ag1 S20 122.19(4) . . ?
N10 Ag1 S10 97.33(12) . 2_556 ?
P1 Ag1 S10 103.55(4) . 2_556 ?
S20 Ag1 S10 95.80(4) . 2_556 ?
C10 S10 Ag2 97.83(17) . . ?
C10 S10 Ag1 96.69(18) . 2_556 ?
Ag2 S10 Ag1 81.26(4) . 2_556 ?
C10 N10 Ag1 157.8(4) . . ?
N10 C10 S10 178.4(5) . . ?
N20 Ag2 P2 126.33(11) . . ?
N20 Ag2 S10 100.24(11) . . ?
P2 Ag2 S10 110.44(4) . . ?
N20 Ag2 S20 98.27(11) . 2_556 ?
P2 Ag2 S20 118.16(4) . 2_556 ?
S10 Ag2 S20 98.89(4) . 2_556 ?
C20 S20 Ag1 101.14(17) . . ?
C20 S20 Ag2 97.43(17) . 2_556 ?
Ag1 S20 Ag2 83.51(4) . 2_556 ?
C20 N20 Ag2 151.4(4) . . ?
N20 C20 S20 178.6(5) . . ?
N30 Ag3 P3 131.76(12) . . ?
N30 Ag3 S40 97.04(12) . . ?
P3 Ag3 S40 121.23(5) . . ?
N30 Ag3 S30 96.33(13) . 2_656 ?
P3 Ag3 S30 106.17(5) . 2_656 ?
S40 Ag3 S30 96.62(5) . 2_656 ?
C30 S30 Ag4 98.25(17) . . ?
C30 S30 Ag3 97.37(18) . 2_656 ?
Ag4 S30 Ag3 80.96(4) . 2_656 ?
C30 N30 Ag3 156.5(4) . . ?
N30 C30 S30 178.1(5) . . ?
N40 Ag4 P4 127.43(13) . . ?
N40 Ag4 S30 100.47(13) . . ?
P4 Ag4 S30 110.88(5) . . ?
N40 Ag4 S40 100.75(14) . 2_656 ?
P4 Ag4 S40 113.70(5) . 2_656 ?
S30 Ag4 S40 99.56(4) . 2_656 ?
C40 S40 Ag3 101.19(18) . . ?
C40 S40 Ag4 95.9(2) . 2_656 ?
Ag3 S40 Ag4 82.40(4) . 2_656 ?
C40 N40 Ag4 151.2(4) . . ?
N40 C40 S40 179.1(5) . . ?
C107 Fe1 C108 41.1(2) . . ?
C107 Fe1 C101 118.7(3) . . ?
C108 Fe1 C101 105.2(3) . . ?
C107 Fe1 C110 68.9(2) . . ?
C108 Fe1 C110 68.2(2) . . ?
C101 Fe1 C110 161.0(2) . . ?
C107 Fe1 C105 105.6(3) . . ?
C108 Fe1 C105 122.8(3) . . ?
C101 Fe1 C105 41.0(2) . . ?
C110 Fe1 C105 157.5(2) . . ?
C107 Fe1 C102 154.3(3) . . ?
C108 Fe1 C102 119.2(3) . . ?
C101 Fe1 C102 41.1(3) . . ?
C110 Fe1 C102 125.2(3) . . ?
C105 Fe1 C102 69.2(3) . . ?
C107 Fe1 C106 40.9(2) . . ?
C108 Fe1 C106 68.7(2) . . ?
C101 Fe1 C106 155.1(3) . . ?
C110 Fe1 C106 41.0(2) . . ?
C105 Fe1 C106 120.6(2) . . ?
C102 Fe1 C106 163.1(3) . . ?
C107 Fe1 C109 68.6(2) . . ?
C108 Fe1 C109 40.0(2) . . ?
C101 Fe1 C109 122.9(2) . . ?
C110 Fe1 C109 40.9(2) . . ?
C105 Fe1 C109 159.3(3) . . ?
C102 Fe1 C109 106.9(2) . . ?
C106 Fe1 C109 68.8(2) . . ?
C107 Fe1 C103 162.8(3) . . ?
C108 Fe1 C103 155.8(3) . . ?
C101 Fe1 C103 68.1(3) . . ?
C110 Fe1 C103 110.2(3) . . ?
C105 Fe1 C103 68.4(3) . . ?
C102 Fe1 C103 40.5(2) . . ?
C106 Fe1 C103 127.1(2) . . ?
C109 Fe1 C103 122.7(3) . . ?
C107 Fe1 C104 125.2(3) . . ?
C108 Fe1 C104 160.9(3) . . ?
C101 Fe1 C104 67.7(2) . . ?
C110 Fe1 C104 124.0(2) . . ?
C105 Fe1 C104 40.3(3) . . ?
C102 Fe1 C104 67.9(2) . . ?
C106 Fe1 C104 109.8(2) . . ?
C109 Fe1 C104 158.7(3) . . ?
C103 Fe1 C104 40.1(2) . . ?
C106 P1 C118 105.1(2) . . ?
C106 P1 C112 103.2(3) . . ?
C118 P1 C112 105.0(3) . . ?
C106 P1 Ag1 115.76(17) . . ?
C118 P1 Ag1 112.98(18) . . ?
C112 P1 Ag1 113.62(19) . . ?
C105 C101 C102 109.0(6) . . ?
C105 C101 C111 123.8(7) . . ?
C102 C101 C111 127.1(6) . . ?
C105 C101 Fe1 70.1(3) . . ?
C102 C101 Fe1 70.3(3) . . ?
C111 C101 Fe1 123.1(5) . . ?
C103 C102 C101 106.8(5) . . ?
C103 C102 Fe1 70.2(3) . . ?
C101 C102 Fe1 68.7(3) . . ?
C103 C102 H102 126.6 . . ?
C101 C102 H102 126.6 . . ?
Fe1 C102 H102 126.1 . . ?
C104 C103 C102 108.3(6) . . ?
C104 C103 Fe1 70.1(3) . . ?
C102 C103 Fe1 69.3(3) . . ?
C104 C103 H103 125.8 . . ?
C102 C103 H103 125.8 . . ?
Fe1 C103 H103 126.3 . . ?
C103 C104 C105 109.2(5) . . ?
C103 C104 Fe1 69.8(3) . . ?
C105 C104 Fe1 69.1(3) . . ?
C103 C104 H104 125.4 . . ?
C105 C104 H104 125.4 . . ?
Fe1 C104 H104 127.3 . . ?
C104 C105 C101 106.6(6) . . ?
C104 C105 Fe1 70.6(3) . . ?
C101 C105 Fe1 68.9(3) . . ?
C104 C105 H105 126.7 . . ?
C101 C105 H105 126.7 . . ?
Fe1 C105 H105 125.5 . . ?
C107 C106 C110 106.8(5) . . ?
C107 C106 P1 122.7(4) . . ?
C110 C106 P1 130.5(4) . . ?
C107 C106 Fe1 68.1(3) . . ?
C110 C106 Fe1 69.0(3) . . ?
P1 C106 Fe1 128.3(3) . . ?
C108 C107 C106 108.2(5) . . ?
C108 C107 Fe1 69.8(3) . . ?
C106 C107 Fe1 71.0(3) . . ?
C108 C107 H107 125.9 . . ?
C106 C107 H107 125.9 . . ?
Fe1 C107 H107 124.9 . . ?
C109 C108 C107 109.2(5) . . ?
C109 C108 Fe1 71.2(3) . . ?
C107 C108 Fe1 69.1(3) . . ?
C109 C108 H108 125.4 . . ?
C107 C108 H108 125.4 . . ?
Fe1 C108 H108 125.9 . . ?
C108 C109 C110 107.4(5) . . ?
C108 C109 Fe1 68.7(3) . . ?
C110 C109 Fe1 69.0(3) . . ?
C108 C109 H109 126.3 . . ?
C110 C109 H109 126.3 . . ?
Fe1 C109 H109 127.6 . . ?
C109 C110 C106 108.3(5) . . ?
C109 C110 Fe1 70.2(3) . . ?
C106 C110 Fe1 69.9(3) . . ?
C109 C110 H110 125.9 . . ?
C106 C110 H110 125.9 . . ?
Fe1 C110 H110 125.7 . . ?
N1 C111 C101 175.6(10) . . ?
C117 C112 C113 118.9(6) . . ?
C117 C112 P1 119.2(5) . . ?
C113 C112 P1 121.9(4) . . ?
C114 C113 C112 119.8(6) . . ?
C115 C114 C113 120.0(7) . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C115 C116 121.0(6) . . ?
C114 C115 H115 119.5 . . ?
C116 C115 H115 119.5 . . ?
C115 C116 C117 118.7(7) . . ?
C115 C116 H116 120.6 . . ?
C117 C116 H116 120.6 . . ?
C112 C117 C116 121.5(7) . . ?
C112 C117 H117 119.3 . . ?
C116 C117 H117 119.3 . . ?
C119 C118 C123 118.7(5) . . ?
C119 C118 P1 119.6(4) . . ?
C123 C118 P1 121.5(4) . . ?
C120 C119 C118 120.3(6) . . ?
C120 C119 H119 119.9 . . ?
C118 C119 H119 119.9 . . ?
C121 C120 C119 121.5(7) . . ?
C121 C120 H120 119.3 . . ?
C119 C120 H120 119.3 . . ?
C120 C121 C122 119.0(6) . . ?
C120 C121 H121 120.5 . . ?
C122 C121 H121 120.5 . . ?
C121 C122 C123 121.1(7) . . ?
C121 C122 H122 119.5 . . ?
C123 C122 H122 119.5 . . ?
C122 C123 C118 119.4(6) . . ?
C122 C123 H123 120.3 . . ?
C118 C123 H123 120.3 . . ?
C201 Fe2 C206 161.3(2) . . ?
C201 Fe2 C205 41.2(3) . . ?
C206 Fe2 C205 156.4(2) . . ?
C201 Fe2 C207 155.7(2) . . ?
C206 Fe2 C207 40.9(2) . . ?
C205 Fe2 C207 120.8(2) . . ?
C201 Fe2 C208 120.2(2) . . ?
C206 Fe2 C208 68.4(2) . . ?
C205 Fe2 C208 107.5(2) . . ?
C207 Fe2 C208 40.6(2) . . ?
C201 Fe2 C210 123.9(2) . . ?
C206 Fe2 C210 40.8(2) . . ?
C205 Fe2 C210 161.2(3) . . ?
C207 Fe2 C210 68.5(2) . . ?
C208 Fe2 C210 68.1(2) . . ?
C201 Fe2 C202 41.4(2) . . ?
C206 Fe2 C202 124.3(2) . . ?
C205 Fe2 C202 69.3(2) . . ?
C207 Fe2 C202 161.9(2) . . ?
C208 Fe2 C202 155.6(2) . . ?
C210 Fe2 C202 106.8(2) . . ?
C201 Fe2 C209 106.7(2) . . ?
C206 Fe2 C209 68.4(2) . . ?
C205 Fe2 C209 124.3(3) . . ?
C207 Fe2 C209 68.0(2) . . ?
C208 Fe2 C209 40.0(2) . . ?
C210 Fe2 C209 40.7(2) . . ?
C202 Fe2 C209 120.6(2) . . ?
C201 Fe2 C204 68.1(3) . . ?
C206 Fe2 C204 122.2(2) . . ?
C205 Fe2 C204 40.2(3) . . ?
C207 Fe2 C204 109.0(2) . . ?
C208 Fe2 C204 126.0(2) . . ?
C210 Fe2 C204 156.9(2) . . ?
C202 Fe2 C204 68.0(3) . . ?
C209 Fe2 C204 161.6(2) . . ?
C201 Fe2 C203 67.9(2) . . ?
C206 Fe2 C203 108.7(2) . . ?
C205 Fe2 C203 68.2(2) . . ?
C207 Fe2 C203 126.6(2) . . ?
C208 Fe2 C203 163.4(2) . . ?
C210 Fe2 C203 121.2(2) . . ?
C202 Fe2 C203 39.6(2) . . ?
C209 Fe2 C203 155.7(2) . . ?
C204 Fe2 C203 40.5(2) . . ?
C206 P2 C212 104.5(2) . . ?
C206 P2 C218 102.3(2) . . ?
C212 P2 C218 104.6(3) . . ?
C206 P2 Ag2 115.02(16) . . ?
C212 P2 Ag2 113.38(18) . . ?
C218 P2 Ag2 115.63(18) . . ?
C211 C201 C205 125.4(6) . . ?
C211 C201 C202 126.6(6) . . ?
C205 C201 C202 107.9(5) . . ?
C211 C201 Fe2 127.6(5) . . ?
C205 C201 Fe2 69.7(3) . . ?
C202 C201 Fe2 70.1(3) . . ?
C203 C202 C201 107.5(5) . . ?
C203 C202 Fe2 71.1(3) . . ?
C201 C202 Fe2 68.5(3) . . ?
C203 C202 H202 126.2 . . ?
C201 C202 H202 126.2 . . ?
Fe2 C202 H202 125.8 . . ?
C202 C203 C204 108.7(5) . . ?
C202 C203 Fe2 69.3(3) . . ?
C204 C203 Fe2 69.4(3) . . ?
C202 C203 H203 125.7 . . ?
C204 C203 H203 125.7 . . ?
Fe2 C203 H203 127.2 . . ?
C205 C204 C203 108.3(6) . . ?
C205 C204 Fe2 68.8(4) . . ?
C203 C204 Fe2 70.1(4) . . ?
C205 C204 H204 125.9 . . ?
C203 C204 H204 125.9 . . ?
Fe2 C204 H204 126.8 . . ?
C204 C205 C201 107.6(6) . . ?
C204 C205 Fe2 70.9(4) . . ?
C201 C205 Fe2 69.1(3) . . ?
C204 C205 H205 126.2 . . ?
C201 C205 H205 126.2 . . ?
Fe2 C205 H205 125.3 . . ?
C210 C206 C207 108.1(5) . . ?
C210 C206 P2 124.3(4) . . ?
C207 C206 P2 127.6(4) . . ?
C210 C206 Fe2 70.1(3) . . ?
C207 C206 Fe2 70.0(3) . . ?
P2 C206 Fe2 125.5(3) . . ?
C208 C207 C206 107.4(5) . . ?
C208 C207 Fe2 69.7(3) . . ?
C206 C207 Fe2 69.1(3) . . ?
C208 C207 H207 126.3 . . ?
C206 C207 H207 126.3 . . ?
Fe2 C207 H207 126.5 . . ?
C209 C208 C207 108.8(5) . . ?
C209 C208 Fe2 70.4(3) . . ?
C207 C208 Fe2 69.7(3) . . ?
C209 C208 H208 125.6 . . ?
C207 C208 H208 125.6 . . ?
Fe2 C208 H208 125.8 . . ?
C208 C209 C210 108.1(5) . . ?
C208 C209 Fe2 69.5(3) . . ?
C210 C209 Fe2 69.2(3) . . ?
C208 C209 H209 126.0 . . ?
C210 C209 H209 126.0 . . ?
Fe2 C209 H209 126.8 . . ?
C206 C210 C209 107.6(5) . . ?
C206 C210 Fe2 69.1(3) . . ?
C209 C210 Fe2 70.1(3) . . ?
C206 C210 H210 126.2 . . ?
C209 C210 H210 126.2 . . ?
Fe2 C210 H210 126.2 . . ?
N2 C211 C201 178.4(8) . . ?
C217 C212 C213 120.1(6) . . ?
C217 C212 P2 122.8(5) . . ?
C213 C212 P2 117.1(5) . . ?
C214 C213 C212 120.7(7) . . ?
C213 C214 C215 120.0(8) . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C214 C215 C216 119.9(7) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C217 C216 C215 119.5(7) . . ?
C217 C216 H216 120.2 . . ?
C215 C216 H216 120.2 . . ?
C212 C217 C216 119.7(7) . . ?
C212 C217 H217 120.1 . . ?
C216 C217 H217 120.1 . . ?
C223 C218 C219 119.5(5) . . ?
C223 C218 P2 123.0(5) . . ?
C219 C218 P2 117.5(4) . . ?
C220 C219 C218 119.6(6) . . ?
C220 C219 H219 120.2 . . ?
C218 C219 H219 120.2 . . ?
C221 C220 C219 119.1(7) . . ?
C221 C220 H220 120.4 . . ?
C219 C220 H220 120.4 . . ?
C222 C221 C220 120.5(6) . . ?
C222 C221 H221 119.7 . . ?
C220 C221 H221 119.7 . . ?
C221 C222 C223 121.4(7) . . ?
C221 C222 H222 119.3 . . ?
C223 C222 H222 119.3 . . ?
C222 C223 C218 119.8(7) . . ?
C222 C223 H223 120.1 . . ?
C218 C223 H223 120.1 . . ?
C302 Fe3 C310 106.0(3) . . ?
C302 Fe3 C309 121.6(3) . . ?
C310 Fe3 C309 40.6(3) . . ?
C302 Fe3 C301 40.8(3) . . ?
C310 Fe3 C301 119.8(3) . . ?
C309 Fe3 C301 105.2(3) . . ?
C302 Fe3 C303 40.1(3) . . ?
C310 Fe3 C303 124.7(3) . . ?
C309 Fe3 C303 159.2(3) . . ?
C301 Fe3 C303 67.3(3) . . ?
C302 Fe3 C308 158.2(3) . . ?
C310 Fe3 C308 68.1(2) . . ?
C309 Fe3 C308 40.4(3) . . ?
C301 Fe3 C308 122.4(3) . . ?
C303 Fe3 C308 160.0(3) . . ?
C302 Fe3 C306 121.3(2) . . ?
C310 Fe3 C306 40.8(2) . . ?
C309 Fe3 C306 68.8(2) . . ?
C301 Fe3 C306 156.2(3) . . ?
C303 Fe3 C306 109.7(2) . . ?
C308 Fe3 C306 68.8(2) . . ?
C302 Fe3 C305 69.0(3) . . ?
C310 Fe3 C305 155.4(3) . . ?
C309 Fe3 C305 120.2(3) . . ?
C301 Fe3 C305 40.8(3) . . ?
C303 Fe3 C305 67.7(2) . . ?
C308 Fe3 C305 107.2(2) . . ?
C306 Fe3 C305 162.2(3) . . ?
C302 Fe3 C307 158.3(3) . . ?
C310 Fe3 C307 68.2(2) . . ?
C309 Fe3 C307 68.4(3) . . ?
C301 Fe3 C307 160.4(2) . . ?
C303 Fe3 C307 124.9(3) . . ?
C308 Fe3 C307 40.9(2) . . ?
C306 Fe3 C307 40.7(2) . . ?
C305 Fe3 C307 125.1(3) . . ?
C302 Fe3 C304 68.0(3) . . ?
C310 Fe3 C304 161.8(3) . . ?
C309 Fe3 C304 157.3(3) . . ?
C301 Fe3 C304 67.7(3) . . ?
C303 Fe3 C304 39.8(3) . . ?
C308 Fe3 C304 123.9(3) . . ?
C306 Fe3 C304 126.3(3) . . ?
C305 Fe3 C304 40.4(3) . . ?
C307 Fe3 C304 110.7(3) . . ?
C306 P3 C318 103.1(3) . . ?
C306 P3 C312 104.5(3) . . ?
C318 P3 C312 105.3(3) . . ?
C306 P3 Ag3 114.81(17) . . ?
C318 P3 Ag3 113.2(2) . . ?
C312 P3 Ag3 114.82(18) . . ?
C302 C301 C305 108.9(7) . . ?
C302 C301 C311 126.6(8) . . ?
C305 C301 C311 124.5(7) . . ?
C302 C301 Fe3 69.5(3) . . ?
C305 C301 Fe3 70.4(4) . . ?
C311 C301 Fe3 124.8(5) . . ?
C303 C302 C301 106.8(7) . . ?
C303 C302 Fe3 70.5(4) . . ?
C301 C302 Fe3 69.7(3) . . ?
C303 C302 H302 126.6 . . ?
C301 C302 H302 126.6 . . ?
Fe3 C302 H302 124.8 . . ?
C302 C303 C304 109.6(6) . . ?
C302 C303 Fe3 69.4(3) . . ?
C304 C303 Fe3 70.5(3) . . ?
C302 C303 H303 125.2 . . ?
C304 C303 H303 125.2 . . ?
Fe3 C303 H303 126.5 . . ?
C303 C304 C305 108.2(7) . . ?
C303 C304 Fe3 69.6(4) . . ?
C305 C304 Fe3 69.6(4) . . ?
C303 C304 H304 125.9 . . ?
C305 C304 H304 125.9 . . ?
Fe3 C304 H304 126.4 . . ?
C304 C305 C301 106.4(6) . . ?
C304 C305 Fe3 69.9(4) . . ?
C301 C305 Fe3 68.8(4) . . ?
C304 C305 H305 126.8 . . ?
C301 C305 H305 126.8 . . ?
Fe3 C305 H305 126.0 . . ?
C310 C306 C307 106.8(5) . . ?
C310 C306 P3 123.5(4) . . ?
C307 C306 P3 129.6(4) . . ?
C310 C306 Fe3 68.8(3) . . ?
C307 C306 Fe3 69.7(3) . . ?
P3 C306 Fe3 129.2(3) . . ?
C306 C307 C308 108.0(5) . . ?
C306 C307 Fe3 69.5(3) . . ?
C308 C307 Fe3 69.3(3) . . ?
C306 C307 H307 126.0 . . ?
C308 C307 H307 126.0 . . ?
Fe3 C307 H307 126.7 . . ?
C309 C308 C307 107.8(5) . . ?
C309 C308 Fe3 69.1(3) . . ?
C307 C308 Fe3 69.7(3) . . ?
C309 C308 H308 126.1 . . ?
C307 C308 H308 126.1 . . ?
Fe3 C308 H308 126.6 . . ?
C308 C309 C310 108.4(6) . . ?
C308 C309 Fe3 70.5(3) . . ?
C310 C309 Fe3 69.7(3) . . ?
C308 C309 H309 125.8 . . ?
C310 C309 H309 125.8 . . ?
Fe3 C309 H309 125.6 . . ?
C309 C310 C306 109.0(5) . . ?
C309 C310 Fe3 69.7(4) . . ?
C306 C310 Fe3 70.4(3) . . ?
C309 C310 H310 125.5 . . ?
C306 C310 H310 125.5 . . ?
Fe3 C310 H310 126.0 . . ?
N3 C311 C301 176.5(13) . . ?
C317 C312 C313 120.1(6) . . ?
C317 C312 P3 119.0(5) . . ?
C313 C312 P3 120.8(5) . . ?
C312 C313 C314 117.3(6) . . ?
C315 C314 C313 121.1(7) . . ?
C315 C314 H314 119.5 . . ?
C313 C314 H314 119.5 . . ?
C314 C315 C316 121.0(7) . . ?
C314 C315 H315 119.5 . . ?
C316 C315 H315 119.5 . . ?
C315 C316 C317 118.8(7) . . ?
C315 C316 H316 120.6 . . ?
C317 C316 H316 120.6 . . ?
C312 C317 C316 121.6(7) . . ?
C312 C317 H317 119.2 . . ?
C316 C317 H317 119.2 . . ?
C319 C318 C323 117.7(6) . . ?
C319 C318 P3 119.6(5) . . ?
C323 C318 P3 122.7(5) . . ?
C318 C319 C320 120.7(8) . . ?
C318 C319 H319 119.6 . . ?
C320 C319 H319 119.6 . . ?
C321 C320 C319 120.5(9) . . ?
C321 C320 H320 119.7 . . ?
C319 C320 H320 119.7 . . ?
C320 C321 C322 119.3(7) . . ?
C320 C321 H321 120.3 . . ?
C322 C321 H321 120.3 . . ?
C321 C322 C323 121.1(8) . . ?
C321 C322 H322 119.5 . . ?
C323 C322 H322 119.5 . . ?
C322 C323 C318 120.6(7) . . ?
C322 C323 H323 119.7 . . ?
C318 C323 H323 119.7 . . ?
C401 Fe4 C402 41.0(3) . . ?
C401 Fe4 C408 105.3(3) . . ?
C402 Fe4 C408 122.0(3) . . ?
C401 Fe4 C410 156.6(3) . . ?
C402 Fe4 C410 122.0(4) . . ?
C408 Fe4 C410 68.4(3) . . ?
C401 Fe4 C405 40.7(3) . . ?
C402 Fe4 C405 68.6(4) . . ?
C408 Fe4 C405 120.5(3) . . ?
C410 Fe4 C405 161.9(3) . . ?
C401 Fe4 C403 68.3(3) . . ?
C402 Fe4 C403 40.7(3) . . ?
C408 Fe4 C403 159.8(4) . . ?
C410 Fe4 C403 109.5(3) . . ?
C405 Fe4 C403 67.9(4) . . ?
C401 Fe4 C406 159.8(3) . . ?
C402 Fe4 C406 158.4(3) . . ?
C408 Fe4 C406 69.1(3) . . ?
C410 Fe4 C406 41.0(2) . . ?
C405 Fe4 C406 124.2(3) . . ?
C403 Fe4 C406 123.5(3) . . ?
C401 Fe4 C407 121.9(3) . . ?
C402 Fe4 C407 158.6(3) . . ?
C408 Fe4 C407 41.1(3) . . ?
C410 Fe4 C407 69.0(3) . . ?
C405 Fe4 C407 106.6(3) . . ?
C403 Fe4 C407 158.6(3) . . ?
C406 Fe4 C407 41.3(2) . . ?
C401 Fe4 C404 68.1(3) . . ?
C402 Fe4 C404 66.9(4) . . ?
C408 Fe4 C404 159.0(4) . . ?
C410 Fe4 C404 125.6(3) . . ?
C405 Fe4 C404 41.5(3) . . ?
C403 Fe4 C404 38.2(4) . . ?
C406 Fe4 C404 109.9(3) . . ?
C407 Fe4 C404 124.2(4) . . ?
C401 Fe4 C409 119.9(3) . . ?
C402 Fe4 C409 106.2(4) . . ?
C408 Fe4 C409 40.7(3) . . ?
C410 Fe4 C409 40.8(3) . . ?
C405 Fe4 C409 155.7(3) . . ?
C403 Fe4 C409 124.5(4) . . ?
C406 Fe4 C409 69.2(2) . . ?
C407 Fe4 C409 69.2(3) . . ?
C404 Fe4 C409 160.1(4) . . ?
C406 P4 C418 101.9(3) . . ?
C406 P4 C412 104.8(3) . . ?
C418 P4 C412 104.7(3) . . ?
C406 P4 Ag4 114.99(19) . . ?
C418 P4 Ag4 116.28(18) . . ?
C412 P4 Ag4 112.74(19) . . ?
C405 C401 C402 108.8(7) . . ?
C405 C401 C411 124.3(9) . . ?
C402 C401 C411 126.9(8) . . ?
C405 C401 Fe4 71.0(4) . . ?
C402 C401 Fe4 70.1(5) . . ?
C411 C401 Fe4 124.8(7) . . ?
C401 C402 C403 107.2(9) . . ?
C401 C402 Fe4 68.9(5) . . ?
C403 C402 Fe4 70.5(5) . . ?
C401 C402 H402 126.4 . . ?
C403 C402 H402 126.4 . . ?
Fe4 C402 H402 125.8 . . ?
C404 C403 C402 109.1(9) . . ?
C404 C403 Fe4 71.1(5) . . ?
C402 C403 Fe4 68.8(5) . . ?
C404 C403 H403 125.5 . . ?
C402 C403 H403 125.5 . . ?
Fe4 C403 H403 126.2 . . ?
C403 C404 C405 109.8(7) . . ?
C403 C404 Fe4 70.7(5) . . ?
C405 C404 Fe4 69.0(4) . . ?
C403 C404 H404 125.1 . . ?
C405 C404 H404 125.1 . . ?
Fe4 C404 H404 126.8 . . ?
C401 C405 C404 105.2(8) . . ?
C401 C405 Fe4 68.3(4) . . ?
C404 C405 Fe4 69.5(4) . . ?
C401 C405 H405 127.4 . . ?
C404 C405 H405 127.4 . . ?
Fe4 C405 H405 126.3 . . ?
C410 C406 C407 107.3(5) . . ?
C410 C406 P4 128.0(4) . . ?
C407 C406 P4 124.7(5) . . ?
C410 C406 Fe4 69.4(4) . . ?
C407 C406 Fe4 69.4(4) . . ?
P4 C406 Fe4 125.5(3) . . ?
C408 C407 C406 107.2(6) . . ?
C408 C407 Fe4 69.2(4) . . ?
C406 C407 Fe4 69.4(4) . . ?
C408 C407 H407 126.4 . . ?
C406 C407 H407 126.4 . . ?
Fe4 C407 H407 126.7 . . ?
C409 C408 C407 109.3(6) . . ?
C409 C408 Fe4 70.3(4) . . ?
C407 C408 Fe4 69.8(4) . . ?
C409 C408 H408 125.4 . . ?
C407 C408 H408 125.4 . . ?
Fe4 C408 H408 126.2 . . ?
C408 C409 C410 107.1(6) . . ?
C408 C409 Fe4 69.0(4) . . ?
C410 C409 Fe4 69.2(3) . . ?
C408 C409 H409 126.4 . . ?
C410 C409 H409 126.4 . . ?
Fe4 C409 H409 126.9 . . ?
C409 C410 C406 109.1(6) . . ?
C409 C410 Fe4 70.1(4) . . ?
C406 C410 Fe4 69.6(3) . . ?
C409 C410 H410 125.4 . . ?
C406 C410 H410 125.4 . . ?
Fe4 C410 H410 126.5 . . ?
N4 C411 C401 178.0(13) . . ?
C413 C412 C417 120.9(6) . . ?
C413 C412 P4 117.0(5) . . ?
C417 C412 P4 121.9(5) . . ?
C412 C413 C414 119.5(7) . . ?
C413 C414 C415 119.7(8) . . ?
C413 C414 H414 120.2 . . ?
C415 C414 H414 120.2 . . ?
C416 C415 C414 120.6(7) . . ?
C416 C415 H415 119.7 . . ?
C414 C415 H415 119.7 . . ?
C415 C416 C417 119.9(7) . . ?
C415 C416 H416 120.0 . . ?
C417 C416 H416 120.0 . . ?
C412 C417 C416 119.3(7) . . ?
C412 C417 H417 120.3 . . ?
C416 C417 H417 120.3 . . ?
C423 C418 C419 119.2(5) . . ?
C423 C418 P4 122.1(5) . . ?
C419 C418 P4 118.7(4) . . ?
C420 C419 C418 120.0(6) . . ?
C420 C419 H419 120.0 . . ?
C418 C419 H419 120.0 . . ?
C421 C420 C419 118.9(7) . . ?
C421 C420 H420 120.6 . . ?
C419 C420 H420 120.6 . . ?
C422 C421 C420 120.8(6) . . ?
C422 C421 H421 119.6 . . ?
C420 C421 H421 119.6 . . ?
C423 C422 C421 120.5(7) . . ?
C423 C422 H422 119.8 . . ?
C421 C422 H422 119.8 . . ?
C422 C423 C418 120.6(7) . . ?
C422 C423 H423 119.7 . . ?
C418 C423 H423 119.7 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.423
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.103
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks290
_database_code_depnum_ccdc_archive 'CCDC 1470460'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C94 H72 Ag2 Fe4 N6 P4 S2'
_chemical_formula_sum            'C94 H72 Ag2 Fe4 N6 P4 S2'
_chemical_formula_weight         1912.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.4899(4)
_cell_length_b                   13.2576(4)
_cell_length_c                   13.7984(4)
_cell_angle_alpha                104.0550(10)
_cell_angle_beta                 111.6980(10)
_cell_angle_gamma                96.5450(10)
_cell_volume                     2006.06(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9913
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      27.51

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968
_exptl_absorpt_coefficient_mu    1.367
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.5845
_exptl_absorpt_correction_T_max  0.8868

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28941
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9205
_reflns_number_gt                7941
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0207P)²+0.8357P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9205
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0241
_refine_ls_wR_factor_ref         0.0533
_refine_ls_wR_factor_gt          0.0502
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.266705(12) 0.855319(10) 0.370088(11) 0.01548(4) Uani 1 1 d . . .
S3 S 0.30857(4) 0.99950(4) 0.55684(4) 0.02459(11) Uani 1 1 d . . .
C3 C 0.44188(16) 1.06624(13) 0.58323(14) 0.0170(4) Uani 1 1 d . . .
N3 N 0.53492(14) 1.11423(12) 0.60340(13) 0.0205(3) Uani 1 1 d . . .
Fe1 Fe -0.05057(2) 0.668453(19) 0.40412(2) 0.01593(6) Uani 1 1 d . . .
P1 P 0.20326(4) 0.66843(3) 0.35787(4) 0.01305(9) Uani 1 1 d . . .
N1 N -0.38059(17) 0.70817(15) 0.32205(18) 0.0409(5) Uani 1 1 d . . .
C101 C -0.15853(17) 0.75429(14) 0.44824(17) 0.0225(4) Uani 1 1 d . . .
C102 C -0.10477(17) 0.70439(15) 0.52921(16) 0.0236(4) Uani 1 1 d . . .
H102 H -0.1448 0.6554 0.5515 0.028 Uiso 1 1 calc R . .
C103 C 0.01932(18) 0.74150(16) 0.57012(16) 0.0271(5) Uani 1 1 d . . .
H103 H 0.0774 0.7213 0.6247 0.032 Uiso 1 1 calc R . .
C104 C 0.04212(18) 0.81411(15) 0.51559(17) 0.0270(5) Uani 1 1 d . . .
H104 H 0.1181 0.8505 0.5275 0.032 Uiso 1 1 calc R . .
C105 C -0.06678(18) 0.82312(14) 0.44085(18) 0.0257(4) Uani 1 1 d . . .
H105 H -0.0773 0.8668 0.3942 0.031 Uiso 1 1 calc R . .
C106 C 0.05202(15) 0.61088(13) 0.32829(15) 0.0159(4) Uani 1 1 d . . .
C107 C -0.05049(17) 0.63270(16) 0.25255(15) 0.0221(4) Uani 1 1 d . . .
H107 H -0.0504 0.6813 0.2120 0.027 Uiso 1 1 calc R . .
C108 C -0.15258(18) 0.56874(16) 0.24882(17) 0.0277(5) Uani 1 1 d . . .
H108 H -0.2324 0.5671 0.2051 0.033 Uiso 1 1 calc R . .
C109 C -0.11452(17) 0.50826(15) 0.32142(18) 0.0271(5) Uani 1 1 d . . .
H109 H -0.1645 0.4592 0.3351 0.032 Uiso 1 1 calc R . .
C110 C 0.01076(17) 0.53321(14) 0.37022(17) 0.0211(4) Uani 1 1 d . . .
H110 H 0.0592 0.5035 0.4220 0.025 Uiso 1 1 calc R . .
C111 C -0.28242(18) 0.73111(15) 0.37888(19) 0.0268(5) Uani 1 1 d . . .
C112 C 0.28515(15) 0.63017(14) 0.47813(15) 0.0161(4) Uani 1 1 d . . .
C113 C 0.31820(17) 0.53278(15) 0.46969(17) 0.0240(4) Uani 1 1 d . . .
H113 H 0.2999 0.4846 0.3994 0.029 Uiso 1 1 calc R . .
C114 C 0.37787(19) 0.50537(17) 0.56342(18) 0.0294(5) Uani 1 1 d . . .
H114 H 0.4015 0.4393 0.5571 0.035 Uiso 1 1 calc R . .
C115 C 0.40247(18) 0.57372(18) 0.66492(18) 0.0306(5) Uani 1 1 d . . .
H115 H 0.4414 0.5542 0.7288 0.037 Uiso 1 1 calc R . .
C116 C 0.37085(18) 0.67074(18) 0.67439(17) 0.0305(5) Uani 1 1 d . . .
H116 H 0.3883 0.7179 0.7449 0.037 Uiso 1 1 calc R . .
C117 C 0.31371(17) 0.70021(16) 0.58165(15) 0.0226(4) Uani 1 1 d . . .
H117 H 0.2942 0.7681 0.5890 0.027 Uiso 1 1 calc R . .
C118 C 0.22701(16) 0.58221(13) 0.24619(14) 0.0152(4) Uani 1 1 d . . .
C119 C 0.33902(16) 0.60236(14) 0.24495(15) 0.0187(4) Uani 1 1 d . . .
H119 H 0.4020 0.6547 0.3051 0.022 Uiso 1 1 calc R . .
C120 C 0.35849(18) 0.54644(15) 0.15653(16) 0.0230(4) Uani 1 1 d . . .
H120 H 0.4353 0.5591 0.1573 0.028 Uiso 1 1 calc R . .
C121 C 0.26654(19) 0.47215(15) 0.06704(17) 0.0264(4) Uani 1 1 d . . .
H121 H 0.2797 0.4350 0.0058 0.032 Uiso 1 1 calc R . .
C122 C 0.15519(19) 0.45213(15) 0.06707(17) 0.0263(5) Uani 1 1 d . . .
H122 H 0.0919 0.4015 0.0055 0.032 Uiso 1 1 calc R . .
C123 C 0.13567(17) 0.50556(14) 0.15641(15) 0.0196(4) Uani 1 1 d . . .
H123 H 0.0596 0.4899 0.1566 0.024 Uiso 1 1 calc R . .
Fe2 Fe 0.28437(2) 0.83739(2) 0.03703(2) 0.01550(6) Uani 1 1 d . . .
P2 P 0.15871(4) 0.92487(3) 0.21944(4) 0.01383(9) Uani 1 1 d . . .
N2 N 0.43885(19) 0.60196(17) -0.07238(16) 0.0433(5) Uani 1 1 d . . .
C201 C 0.42954(16) 0.79045(16) 0.02602(16) 0.0228(4) Uani 1 1 d . . .
C202 C 0.44983(16) 0.83060(16) 0.13919(16) 0.0218(4) Uani 1 1 d . . .
H202 H 0.4678 0.7923 0.1910 0.026 Uiso 1 1 calc R . .
C203 C 0.43814(16) 0.93740(16) 0.15917(17) 0.0237(4) Uani 1 1 d . . .
H203 H 0.4476 0.9837 0.2277 0.028 Uiso 1 1 calc R . .
C204 C 0.40993(17) 0.96474(16) 0.06078(17) 0.0271(5) Uani 1 1 d . . .
H204 H 0.3971 1.0319 0.0522 0.033 Uiso 1 1 calc R . .
C205 C 0.40416(17) 0.87452(17) -0.02233(17) 0.0271(5) Uani 1 1 d . . .
H205 H 0.3867 0.8702 -0.0965 0.033 Uiso 1 1 calc R . .
C206 C 0.15169(15) 0.85371(13) 0.08739(14) 0.0150(4) Uani 1 1 d . . .
C207 C 0.13095(16) 0.88714(15) -0.00853(15) 0.0201(4) Uani 1 1 d . . .
H207 H 0.1229 0.9563 -0.0135 0.024 Uiso 1 1 calc R . .
C208 C 0.12462(17) 0.79924(16) -0.09422(16) 0.0240(4) Uani 1 1 d . . .
H208 H 0.1111 0.7993 -0.1666 0.029 Uiso 1 1 calc R . .
C209 C 0.14196(16) 0.71086(15) -0.05363(16) 0.0227(4) Uani 1 1 d . . .
H209 H 0.1424 0.6419 -0.0940 0.027 Uiso 1 1 calc R . .
C210 C 0.15849(15) 0.74365(14) 0.05752(15) 0.0177(4) Uani 1 1 d . . .
H210 H 0.1718 0.7002 0.1045 0.021 Uiso 1 1 calc R . .
C211 C 0.43391(18) 0.68541(18) -0.02866(17) 0.0295(5) Uani 1 1 d . . .
C212 C 0.00165(15) 0.91979(13) 0.18783(15) 0.0151(4) Uani 1 1 d . . .
C213 C -0.08677(17) 0.84266(14) 0.09681(16) 0.0222(4) Uani 1 1 d . . .
H213 H -0.0660 0.7950 0.0467 0.027 Uiso 1 1 calc R . .
C214 C -0.20496(17) 0.83456(16) 0.07839(18) 0.0281(5) Uani 1 1 d . . .
H214 H -0.2644 0.7814 0.0160 0.034 Uiso 1 1 calc R . .
C215 C -0.23627(18) 0.90337(17) 0.15039(18) 0.0281(5) Uani 1 1 d . . .
H215 H -0.3171 0.8975 0.1382 0.034 Uiso 1 1 calc R . .
C216 C -0.14925(18) 0.98092(17) 0.24047(18) 0.0295(5) Uani 1 1 d . . .
H216 H -0.1706 1.0291 0.2897 0.035 Uiso 1 1 calc R . .
C217 C -0.03107(17) 0.98914(16) 0.25971(16) 0.0240(4) Uani 1 1 d . . .
H217 H 0.0280 1.0424 0.3223 0.029 Uiso 1 1 calc R . .
C218 C 0.21886(15) 1.06535(13) 0.24461(15) 0.0164(4) Uani 1 1 d . . .
C219 C 0.32794(16) 1.11473(14) 0.33100(16) 0.0212(4) Uani 1 1 d . . .
H219 H 0.3693 1.0754 0.3758 0.025 Uiso 1 1 calc R . .
C220 C 0.37707(18) 1.22142(16) 0.35228(18) 0.0293(5) Uani 1 1 d . . .
H220 H 0.4518 1.2549 0.4116 0.035 Uiso 1 1 calc R . .
C221 C 0.31777(19) 1.27866(15) 0.28766(19) 0.0306(5) Uani 1 1 d . . .
H221 H 0.3525 1.3511 0.3012 0.037 Uiso 1 1 calc R . .
C222 C 0.20797(19) 1.23126(15) 0.20314(18) 0.0304(5) Uani 1 1 d . . .
H222 H 0.1663 1.2716 0.1598 0.037 Uiso 1 1 calc R . .
C223 C 0.15815(18) 1.12482(15) 0.18128(17) 0.0242(4) Uani 1 1 d . . .
H223 H 0.0825 1.0924 0.1230 0.029 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N3 2.3379(16) 2_676 ?
Ag P1 2.4589(4) . ?
Ag P2 2.4763(5) . ?
Ag S3 2.6364(5) . ?
S3 C3 1.6575(19) . ?
C3 N3 1.157(2) . ?
N3 Ag 2.3379(16) 2_676 ?
Fe1 C101 2.0259(19) . ?
Fe1 C107 2.0295(19) . ?
Fe1 C106 2.0361(19) . ?
Fe1 C104 2.0411(19) . ?
Fe1 C105 2.0416(19) . ?
Fe1 C108 2.046(2) . ?
Fe1 C110 2.0472(19) . ?
Fe1 C103 2.049(2) . ?
Fe1 C102 2.050(2) . ?
Fe1 C109 2.0525(19) . ?
P1 C106 1.8076(18) . ?
P1 C112 1.8245(18) . ?
P1 C118 1.8245(19) . ?
N1 C111 1.140(3) . ?
C101 C102 1.429(3) . ?
C101 C105 1.432(3) . ?
C101 C111 1.435(3) . ?
C102 C103 1.417(3) . ?
C102 H102 0.9500 . ?
C103 C104 1.422(3) . ?
C103 H103 0.9500 . ?
C104 C105 1.410(3) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C110 1.432(2) . ?
C106 C107 1.434(3) . ?
C107 C108 1.425(3) . ?
C107 H107 0.9500 . ?
C108 C109 1.413(3) . ?
C108 H108 0.9500 . ?
C109 C110 1.416(3) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C117 1.390(3) . ?
C112 C113 1.391(3) . ?
C113 C114 1.392(3) . ?
C113 H113 0.9500 . ?
C114 C115 1.371(3) . ?
C114 H114 0.9500 . ?
C115 C116 1.378(3) . ?
C115 H115 0.9500 . ?
C116 C117 1.389(3) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.396(2) . ?
C118 C119 1.401(3) . ?
C119 C120 1.385(3) . ?
C119 H119 0.9500 . ?
C120 C121 1.384(3) . ?
C120 H120 0.9500 . ?
C121 C122 1.386(3) . ?
C121 H121 0.9500 . ?
C122 C123 1.385(3) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Fe2 C205 2.0213(19) . ?
Fe2 C207 2.0251(19) . ?
Fe2 C201 2.028(2) . ?
Fe2 C206 2.0337(18) . ?
Fe2 C210 2.0372(17) . ?
Fe2 C204 2.0409(18) . ?
Fe2 C208 2.0420(19) . ?
Fe2 C209 2.0488(18) . ?
Fe2 C202 2.0532(18) . ?
Fe2 C203 2.0561(18) . ?
P2 C206 1.8016(19) . ?
P2 C218 1.8242(17) . ?
P2 C212 1.8346(18) . ?
N2 C211 1.145(3) . ?
C201 C211 1.431(3) . ?
C201 C202 1.435(3) . ?
C201 C205 1.440(3) . ?
C202 C203 1.411(3) . ?
C202 H202 0.9500 . ?
C203 C204 1.419(3) . ?
C203 H203 0.9500 . ?
C204 C205 1.416(3) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C210 1.438(2) . ?
C206 C207 1.440(2) . ?
C207 C208 1.415(3) . ?
C207 H207 0.9500 . ?
C208 C209 1.421(3) . ?
C208 H208 0.9500 . ?
C209 C210 1.416(3) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C213 1.391(2) . ?
C212 C217 1.392(3) . ?
C213 C214 1.389(3) . ?
C213 H213 0.9500 . ?
C214 C215 1.379(3) . ?
C214 H214 0.9500 . ?
C215 C216 1.382(3) . ?
C215 H215 0.9500 . ?
C216 C217 1.386(3) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.387(2) . ?
C218 C223 1.393(2) . ?
C219 C220 1.389(3) . ?
C219 H219 0.9500 . ?
C220 C221 1.374(3) . ?
C220 H220 0.9500 . ?
C221 C222 1.379(3) . ?
C221 H221 0.9500 . ?
C222 C223 1.387(3) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ag P1 108.15(4) 2_676 . ?
N3 Ag P2 107.28(4) 2_676 . ?
P1 Ag P2 120.270(15) . . ?
N3 Ag S3 93.79(4) 2_676 . ?
P1 Ag S3 116.063(16) . . ?
P2 Ag S3 107.706(17) . . ?
C3 S3 Ag 99.29(7) . . ?
N3 C3 S3 178.67(18) . . ?
C3 N3 Ag 158.03(15) . 2_676 ?
C101 Fe1 C107 123.70(8) . . ?
C101 Fe1 C106 162.08(7) . . ?
C107 Fe1 C106 41.31(7) . . ?
C101 Fe1 C104 68.50(8) . . ?
C107 Fe1 C104 119.12(8) . . ?
C106 Fe1 C104 108.03(8) . . ?
C101 Fe1 C105 41.21(8) . . ?
C107 Fe1 C105 105.40(8) . . ?
C106 Fe1 C105 124.85(8) . . ?
C104 Fe1 C105 40.40(8) . . ?
C101 Fe1 C108 105.72(8) . . ?
C107 Fe1 C108 40.94(8) . . ?
C106 Fe1 C108 69.04(8) . . ?
C104 Fe1 C108 153.25(9) . . ?
C105 Fe1 C108 118.04(9) . . ?
C101 Fe1 C110 154.53(7) . . ?
C107 Fe1 C110 68.86(8) . . ?
C106 Fe1 C110 41.05(7) . . ?
C104 Fe1 C110 128.02(8) . . ?
C105 Fe1 C110 163.82(8) . . ?
C108 Fe1 C110 68.20(8) . . ?
C101 Fe1 C103 68.46(8) . . ?
C107 Fe1 C103 155.11(8) . . ?
C106 Fe1 C103 121.18(8) . . ?
C104 Fe1 C103 40.68(8) . . ?
C105 Fe1 C103 68.45(9) . . ?
C108 Fe1 C103 163.52(8) . . ?
C110 Fe1 C103 110.02(8) . . ?
C101 Fe1 C102 41.04(8) . . ?
C107 Fe1 C102 161.98(8) . . ?
C106 Fe1 C102 155.70(8) . . ?
C104 Fe1 C102 68.46(8) . . ?
C105 Fe1 C102 69.06(8) . . ?
C108 Fe1 C102 125.25(8) . . ?
C110 Fe1 C102 120.98(8) . . ?
C103 Fe1 C102 40.45(8) . . ?
C101 Fe1 C109 119.02(8) . . ?
C107 Fe1 C109 68.56(8) . . ?
C106 Fe1 C109 68.78(7) . . ?
C104 Fe1 C109 165.39(9) . . ?
C105 Fe1 C109 153.18(8) . . ?
C108 Fe1 C109 40.35(9) . . ?
C110 Fe1 C109 40.42(8) . . ?
C103 Fe1 C109 127.74(9) . . ?
C102 Fe1 C109 108.21(8) . . ?
C106 P1 C112 101.76(8) . . ?
C106 P1 C118 102.43(8) . . ?
C112 P1 C118 104.83(8) . . ?
C106 P1 Ag 121.76(6) . . ?
C112 P1 Ag 115.58(6) . . ?
C118 P1 Ag 108.59(5) . . ?
C102 C101 C105 108.33(17) . . ?
C102 C101 C111 125.54(17) . . ?
C105 C101 C111 125.87(19) . . ?
C102 C101 Fe1 70.38(11) . . ?
C105 C101 Fe1 69.98(11) . . ?
C111 C101 Fe1 120.81(15) . . ?
C103 C102 C101 107.30(17) . . ?
C103 C102 Fe1 69.73(12) . . ?
C101 C102 Fe1 68.57(11) . . ?
C103 C102 H102 126.4 . . ?
C101 C102 H102 126.4 . . ?
Fe1 C102 H102 126.9 . . ?
C102 C103 C104 108.34(18) . . ?
C102 C103 Fe1 69.82(11) . . ?
C104 C103 Fe1 69.37(11) . . ?
C102 C103 H103 125.8 . . ?
C104 C103 H103 125.8 . . ?
Fe1 C103 H103 126.6 . . ?
C105 C104 C103 108.69(17) . . ?
C105 C104 Fe1 69.82(11) . . ?
C103 C104 Fe1 69.95(11) . . ?
C105 C104 H104 125.7 . . ?
C103 C104 H104 125.7 . . ?
Fe1 C104 H104 126.2 . . ?
C104 C105 C101 107.34(18) . . ?
C104 C105 Fe1 69.78(11) . . ?
C101 C105 Fe1 68.80(11) . . ?
C104 C105 H105 126.3 . . ?
C101 C105 H105 126.3 . . ?
Fe1 C105 H105 126.6 . . ?
C110 C106 C107 107.08(16) . . ?
C110 C106 P1 127.85(14) . . ?
C107 C106 P1 125.01(14) . . ?
C110 C106 Fe1 69.89(11) . . ?
C107 C106 Fe1 69.09(11) . . ?
P1 C106 Fe1 128.10(9) . . ?
C108 C107 C106 107.97(17) . . ?
C108 C107 Fe1 70.13(11) . . ?
C106 C107 Fe1 69.59(11) . . ?
C108 C107 H107 126.0 . . ?
C106 C107 H107 126.0 . . ?
Fe1 C107 H107 125.8 . . ?
C109 C108 C107 108.20(17) . . ?
C109 C108 Fe1 70.09(11) . . ?
C107 C108 Fe1 68.92(11) . . ?
C109 C108 H108 125.9 . . ?
C107 C108 H108 125.9 . . ?
Fe1 C108 H108 126.7 . . ?
C108 C109 C110 108.38(17) . . ?
C108 C109 Fe1 69.56(11) . . ?
C110 C109 Fe1 69.59(10) . . ?
C108 C109 H109 125.8 . . ?
C110 C109 H109 125.8 . . ?
Fe1 C109 H109 126.6 . . ?
C109 C110 C106 108.36(17) . . ?
C109 C110 Fe1 69.99(11) . . ?
C106 C110 Fe1 69.06(10) . . ?
C109 C110 H110 125.8 . . ?
C106 C110 H110 125.8 . . ?
Fe1 C110 H110 126.7 . . ?
N1 C111 C101 177.0(2) . . ?
C117 C112 C113 118.99(17) . . ?
C117 C112 P1 118.73(14) . . ?
C113 C112 P1 122.27(15) . . ?
C112 C113 C114 120.5(2) . . ?
C112 C113 H113 119.7 . . ?
C114 C113 H113 119.7 . . ?
C115 C114 C113 119.97(19) . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C115 C116 120.06(19) . . ?
C114 C115 H115 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C116 C117 120.6(2) . . ?
C115 C116 H116 119.7 . . ?
C117 C116 H116 119.7 . . ?
C116 C117 C112 119.84(19) . . ?
C116 C117 H117 120.1 . . ?
C112 C117 H117 120.1 . . ?
C123 C118 C119 118.72(17) . . ?
C123 C118 P1 122.80(14) . . ?
C119 C118 P1 118.08(13) . . ?
C120 C119 C118 120.41(17) . . ?
C120 C119 H119 119.8 . . ?
C118 C119 H119 119.8 . . ?
C121 C120 C119 120.27(19) . . ?
C121 C120 H120 119.9 . . ?
C119 C120 H120 119.9 . . ?
C120 C121 C122 119.78(19) . . ?
C120 C121 H121 120.1 . . ?
C122 C121 H121 120.1 . . ?
C123 C122 C121 120.34(18) . . ?
C123 C122 H122 119.8 . . ?
C121 C122 H122 119.8 . . ?
C122 C123 C118 120.44(18) . . ?
C122 C123 H123 119.8 . . ?
C118 C123 H123 119.8 . . ?
C205 Fe2 C207 120.20(8) . . ?
C205 Fe2 C201 41.65(8) . . ?
C207 Fe2 C201 158.40(8) . . ?
C205 Fe2 C206 158.03(8) . . ?
C207 Fe2 C206 41.55(7) . . ?
C201 Fe2 C206 159.10(7) . . ?
C205 Fe2 C210 157.67(8) . . ?
C207 Fe2 C210 69.24(7) . . ?
C201 Fe2 C210 123.10(8) . . ?
C206 Fe2 C210 41.37(7) . . ?
C205 Fe2 C204 40.79(8) . . ?
C207 Fe2 C204 104.64(8) . . ?
C201 Fe2 C204 68.97(8) . . ?
C206 Fe2 C204 122.49(8) . . ?
C210 Fe2 C204 161.25(8) . . ?
C205 Fe2 C208 104.58(8) . . ?
C207 Fe2 C208 40.73(8) . . ?
C201 Fe2 C208 122.99(8) . . ?
C206 Fe2 C208 69.19(7) . . ?
C210 Fe2 C208 68.51(8) . . ?
C204 Fe2 C208 119.11(8) . . ?
C205 Fe2 C209 120.58(8) . . ?
C207 Fe2 C209 68.80(8) . . ?
C201 Fe2 C209 107.98(8) . . ?
C206 Fe2 C209 69.17(7) . . ?
C210 Fe2 C209 40.56(7) . . ?
C204 Fe2 C209 155.41(8) . . ?
C208 Fe2 C209 40.66(8) . . ?
C205 Fe2 C202 69.52(8) . . ?
C207 Fe2 C202 157.49(8) . . ?
C201 Fe2 C202 41.16(8) . . ?
C206 Fe2 C202 122.74(7) . . ?
C210 Fe2 C202 109.95(7) . . ?
C204 Fe2 C202 68.58(8) . . ?
C208 Fe2 C202 161.45(8) . . ?
C209 Fe2 C202 126.15(8) . . ?
C205 Fe2 C203 68.49(8) . . ?
C207 Fe2 C203 121.04(8) . . ?
C201 Fe2 C203 68.25(8) . . ?
C206 Fe2 C203 108.04(8) . . ?
C210 Fe2 C203 126.38(8) . . ?
C204 Fe2 C203 40.52(8) . . ?
C208 Fe2 C203 155.58(8) . . ?
C209 Fe2 C203 162.91(8) . . ?
C202 Fe2 C203 40.15(8) . . ?
C206 P2 C218 106.54(8) . . ?
C206 P2 C212 101.28(8) . . ?
C218 P2 C212 102.99(8) . . ?
C206 P2 Ag 114.58(6) . . ?
C218 P2 Ag 113.52(6) . . ?
C212 P2 Ag 116.47(6) . . ?
C211 C201 C202 125.88(18) . . ?
C211 C201 C205 126.28(18) . . ?
C202 C201 C205 107.84(18) . . ?
C211 C201 Fe2 126.22(14) . . ?
C202 C201 Fe2 70.36(11) . . ?
C205 C201 Fe2 68.93(11) . . ?
C203 C202 C201 107.27(17) . . ?
C203 C202 Fe2 70.04(11) . . ?
C201 C202 Fe2 68.47(11) . . ?
C203 C202 H202 126.4 . . ?
C201 C202 H202 126.4 . . ?
Fe2 C202 H202 126.7 . . ?
C202 C203 C204 109.21(19) . . ?
C202 C203 Fe2 69.81(11) . . ?
C204 C203 Fe2 69.16(11) . . ?
C202 C203 H203 125.4 . . ?
C204 C203 H203 125.4 . . ?
Fe2 C203 H203 127.2 . . ?
C205 C204 C203 108.12(18) . . ?
C205 C204 Fe2 68.87(11) . . ?
C203 C204 Fe2 70.32(10) . . ?
C205 C204 H204 125.9 . . ?
C203 C204 H204 125.9 . . ?
Fe2 C204 H204 126.4 . . ?
C204 C205 C201 107.56(18) . . ?
C204 C205 Fe2 70.35(11) . . ?
C201 C205 Fe2 69.42(11) . . ?
C204 C205 H205 126.2 . . ?
C201 C205 H205 126.2 . . ?
Fe2 C205 H205 125.6 . . ?
C210 C206 C207 106.65(16) . . ?
C210 C206 P2 123.19(13) . . ?
C207 C206 P2 130.03(14) . . ?
C210 C206 Fe2 69.44(10) . . ?
C207 C206 Fe2 68.90(10) . . ?
P2 C206 Fe2 129.69(9) . . ?
C208 C207 C206 108.29(16) . . ?
C208 C207 Fe2 70.28(11) . . ?
C206 C207 Fe2 69.55(10) . . ?
C208 C207 H207 125.9 . . ?
C206 C207 H207 125.9 . . ?
Fe2 C207 H207 125.9 . . ?
C207 C208 C209 108.47(17) . . ?
C207 C208 Fe2 68.99(11) . . ?
C209 C208 Fe2 69.93(10) . . ?
C207 C208 H208 125.8 . . ?
C209 C208 H208 125.8 . . ?
Fe2 C208 H208 126.9 . . ?
C210 C209 C208 108.03(17) . . ?
C210 C209 Fe2 69.28(10) . . ?
C208 C209 Fe2 69.41(11) . . ?
C210 C209 H209 126.0 . . ?
C208 C209 H209 126.0 . . ?
Fe2 C209 H209 126.9 . . ?
C209 C210 C206 108.56(16) . . ?
C209 C210 Fe2 70.16(10) . . ?
C206 C210 Fe2 69.18(10) . . ?
C209 C210 H210 125.7 . . ?
C206 C210 H210 125.7 . . ?
Fe2 C210 H210 126.5 . . ?
N2 C211 C201 179.1(2) . . ?
C213 C212 C217 118.50(17) . . ?
C213 C212 P2 121.36(15) . . ?
C217 C212 P2 119.98(14) . . ?
C214 C213 C212 120.78(19) . . ?
C214 C213 H213 119.6 . . ?
C212 C213 H213 119.6 . . ?
C215 C214 C213 120.21(19) . . ?
C215 C214 H214 119.9 . . ?
C213 C214 H214 119.9 . . ?
C214 C215 C216 119.48(19) . . ?
C214 C215 H215 120.3 . . ?
C216 C215 H215 120.3 . . ?
C215 C216 C217 120.6(2) . . ?
C215 C216 H216 119.7 . . ?
C217 C216 H216 119.7 . . ?
C216 C217 C212 120.38(18) . . ?
C216 C217 H217 119.8 . . ?
C212 C217 H217 119.8 . . ?
C219 C218 C223 119.10(16) . . ?
C219 C218 P2 118.61(13) . . ?
C223 C218 P2 122.29(14) . . ?
C218 C219 C220 120.30(18) . . ?
C218 C219 H219 119.8 . . ?
C220 C219 H219 119.8 . . ?
C221 C220 C219 120.13(19) . . ?
C221 C220 H220 119.9 . . ?
C219 C220 H220 119.9 . . ?
C220 C221 C222 120.16(18) . . ?
C220 C221 H221 119.9 . . ?
C222 C221 H221 119.9 . . ?
C221 C222 C223 120.12(19) . . ?
C221 C222 H222 119.9 . . ?
C223 C222 H222 119.9 . . ?
C222 C223 C218 120.15(18) . . ?
C222 C223 H223 119.9 . . ?
C218 C223 H223 119.9 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.066
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks328sq
_database_code_depnum_ccdc_archive 'CCDC 1470461'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C92 H72 Ag2 F6 Fe4 N4 P4 Si'
_chemical_formula_sum            'C92 H72 Ag2 F6 Fe4 N4 P4 Si'
_chemical_formula_weight         1938.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_name_H-M            'C 2/c'
_space_group_name_Hall           '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   26.7175(8)
_cell_length_b                   14.4939(4)
_cell_length_c                   26.1685(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.3360(11)
_cell_angle_gamma                90.00
_cell_volume                     9158.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9928
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.46

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3912
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.6506
_exptl_absorpt_correction_T_max  0.8915

# SQUEEZE RESULTS 
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.323 0.250 350 118 ' '
2 1.000 0.823 0.250 350 118 ' '
3 0.500 0.677 0.750 350 118 ' '
4 1.000 0.177 0.750 350 118 ' '

_platon_squeeze_details          ?

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38841
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10515
_reflns_number_gt                8928
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0185P)²+47.4837P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10515
_refine_ls_number_parameters     529
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.0944
_refine_ls_wR_factor_gt          0.0915
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.136467(10) 0.048625(17) 0.051308(11) 0.02013(7) Uani 1 1 d . . .
Fe1 Fe 0.16194(2) -0.24137(3) 0.11059(2) 0.02194(11) Uani 1 1 d . . .
Fe2 Fe 0.07400(2) 0.27968(4) 0.14490(2) 0.02768(13) Uani 1 1 d . A .
P1 P 0.18937(4) -0.07386(6) 0.03473(4) 0.01891(17) Uani 1 1 d . . .
P2 P 0.15926(3) 0.20590(6) 0.08348(3) 0.01697(17) Uani 1 1 d . . .
N1 N 0.2161(3) -0.4533(4) 0.2251(2) 0.118(3) Uani 1 1 d . . .
N2A N 0.0427(5) 0.5220(9) 0.0663(6) 0.098(4) Uani 0.50 1 d PU A 1
N2B N -0.0190(5) 0.1943(8) 0.2231(4) 0.086(3) Uani 0.50 1 d PU . 2
C101 C 0.1782(2) -0.2910(3) 0.18762(17) 0.0419(11) Uani 1 1 d . . .
C102 C 0.2116(2) -0.2117(3) 0.19248(17) 0.0481(12) Uani 1 1 d . . .
H102 H 0.2509 -0.2088 0.2089 0.058 Uiso 1 1 calc R . .
C103 C 0.1740(3) -0.1381(3) 0.16771(19) 0.0545(14) Uani 1 1 d . . .
H103 H 0.1841 -0.0760 0.1652 0.065 Uiso 1 1 calc R . .
C104 C 0.1201(3) -0.1710(4) 0.1477(2) 0.0629(15) Uani 1 1 d . . .
H104 H 0.0874 -0.1357 0.1288 0.076 Uiso 1 1 calc R . .
C105 C 0.1226(2) -0.2648(4) 0.1601(2) 0.0556(13) Uani 1 1 d . . .
H105 H 0.0916 -0.3043 0.1514 0.067 Uiso 1 1 calc R . .
C106 C 0.17174(14) -0.1907(2) 0.04308(13) 0.0207(7) Uani 1 1 d . . .
C107 C 0.11635(15) -0.2215(2) 0.02675(14) 0.0274(8) Uani 1 1 d . . .
H107 H 0.0839 -0.1847 0.0103 0.033 Uiso 1 1 calc R . .
C108 C 0.11823(17) -0.3173(3) 0.03953(15) 0.0331(9) Uani 1 1 d . . .
H108 H 0.0872 -0.3559 0.0324 0.040 Uiso 1 1 calc R . .
C109 C 0.17393(16) -0.3447(2) 0.06448(15) 0.0286(8) Uani 1 1 d . . .
H109 H 0.1870 -0.4051 0.0776 0.034 Uiso 1 1 calc R . .
C110 C 0.20754(15) -0.2681(2) 0.06690(14) 0.0244(7) Uani 1 1 d . . .
H110 H 0.2468 -0.2680 0.0817 0.029 Uiso 1 1 calc R . .
C111 C 0.1994(3) -0.3815(4) 0.2080(2) 0.0689(17) Uani 1 1 d . . .
C112 C 0.18518(14) -0.0716(2) -0.03659(14) 0.0224(7) Uani 1 1 d . . .
C113 C 0.20955(16) 0.0009(3) -0.05284(17) 0.0342(9) Uani 1 1 d . . .
H113 H 0.2292 0.0473 -0.0261 0.041 Uiso 1 1 calc R . .
C114 C 0.20559(18) 0.0063(3) -0.10712(18) 0.0413(10) Uani 1 1 d . . .
H114 H 0.2229 0.0556 -0.1174 0.050 Uiso 1 1 calc R . .
C115 C 0.17621(18) -0.0606(3) -0.14666(17) 0.0408(10) Uani 1 1 d . . .
H115 H 0.1734 -0.0573 -0.1840 0.049 Uiso 1 1 calc R . .
C116 C 0.1512(2) -0.1318(3) -0.13149(17) 0.0428(11) Uani 1 1 d . . .
H116 H 0.1309 -0.1774 -0.1585 0.051 Uiso 1 1 calc R . .
C117 C 0.15562(17) -0.1370(3) -0.07673(16) 0.0322(9) Uani 1 1 d . . .
H117 H 0.1381 -0.1862 -0.0667 0.039 Uiso 1 1 calc R . .
C118 C 0.26352(14) -0.0682(2) 0.07989(14) 0.0208(7) Uani 1 1 d . . .
C119 C 0.30148(15) -0.1161(2) 0.06646(16) 0.0272(8) Uani 1 1 d . . .
H119 H 0.2892 -0.1499 0.0321 0.033 Uiso 1 1 calc R . .
C120 C 0.35717(15) -0.1142(3) 0.10332(18) 0.0344(9) Uani 1 1 d . . .
H120 H 0.3831 -0.1464 0.0940 0.041 Uiso 1 1 calc R . .
C121 C 0.37520(16) -0.0660(3) 0.15342(18) 0.0381(10) Uani 1 1 d . . .
H121 H 0.4133 -0.0665 0.1790 0.046 Uiso 1 1 calc R . .
C122 C 0.33800(17) -0.0172(3) 0.16639(17) 0.0360(9) Uani 1 1 d . . .
H122 H 0.3506 0.0172 0.2005 0.043 Uiso 1 1 calc R . .
C123 C 0.28205(16) -0.0180(3) 0.12967(15) 0.0280(8) Uani 1 1 d . . .
H123 H 0.2565 0.0159 0.1387 0.034 Uiso 1 1 calc R . .
C201 C 0.01802(17) 0.3698(3) 0.0921(2) 0.0476(12) Uani 1 1 d . . .
H201 H 0.0258 0.4272 0.0795 0.057 Uiso 0.50 1 d PR B 2
C202 C 0.01208(14) 0.2839(3) 0.06488(16) 0.0335(9) Uani 1 1 d . A .
H202 H 0.0160 0.2724 0.0310 0.040 Uiso 1 1 calc R . .
C203 C -0.00070(15) 0.2178(3) 0.09728(16) 0.0357(9) Uani 1 1 d . . .
H203 H -0.0072 0.1539 0.0889 0.043 Uiso 1 1 calc R A .
C204 C -0.00214(17) 0.2633(3) 0.14423(18) 0.0415(10) Uani 1 1 d . A .
H204 H -0.0104 0.2356 0.1726 0.050 Uiso 0.50 1 d PR C 1
C205 C 0.00933(16) 0.3557(3) 0.1415(2) 0.0464(12) Uani 1 1 d . A .
H205 H 0.0111 0.4018 0.1680 0.056 Uiso 1 1 calc R . .
C206 C 0.14631(13) 0.2412(2) 0.14229(14) 0.0220(7) Uani 1 1 d . . .
C207 C 0.13190(16) 0.1786(3) 0.17529(16) 0.0355(9) Uani 1 1 d . A .
H207 H 0.1256 0.1144 0.1684 0.043 Uiso 1 1 calc R . .
C208 C 0.12858(18) 0.2287(4) 0.22053(16) 0.0536(15) Uani 1 1 d . . .
H208 H 0.1196 0.2036 0.2491 0.064 Uiso 1 1 calc R A .
C209 C 0.14092(17) 0.3214(4) 0.21565(18) 0.0537(14) Uani 1 1 d . A .
H209 H 0.1417 0.3699 0.2404 0.064 Uiso 1 1 calc R . .
C210 C 0.15203(16) 0.3305(3) 0.16791(17) 0.0365(10) Uani 1 1 d . A .
H210 H 0.1616 0.3860 0.1550 0.044 Uiso 1 1 calc R . .
C21A C 0.0316(4) 0.4501(7) 0.0790(6) 0.064(3) Uani 0.50 1 d P A 1
C21B C -0.0099(4) 0.2327(9) 0.1885(4) 0.060(3) Uani 0.50 1 d P A 2
C212 C 0.23371(13) 0.2266(2) 0.10816(14) 0.0201(7) Uani 1 1 d . . .
C213 C 0.25654(15) 0.2116(3) 0.06974(15) 0.0290(8) Uani 1 1 d . A .
H213 H 0.2333 0.1938 0.0320 0.035 Uiso 1 1 calc R . .
C214 C 0.31252(17) 0.2228(3) 0.08639(18) 0.0395(10) Uani 1 1 d . . .
H214 H 0.3277 0.2134 0.0599 0.047 Uiso 1 1 calc R A .
C215 C 0.34679(16) 0.2476(3) 0.14142(18) 0.0389(10) Uani 1 1 d . A .
H215 H 0.3855 0.2547 0.1529 0.047 Uiso 1 1 calc R . .
C216 C 0.32468(16) 0.2619(3) 0.17943(17) 0.0386(10) Uani 1 1 d . . .
H216 H 0.3481 0.2795 0.2172 0.046 Uiso 1 1 calc R A .
C217 C 0.26818(15) 0.2508(3) 0.16309(15) 0.0289(8) Uani 1 1 d . A .
H217 H 0.2533 0.2599 0.1898 0.035 Uiso 1 1 calc R . .
C218 C 0.12793(14) 0.2895(2) 0.02699(14) 0.0220(7) Uani 1 1 d . . .
C219 C 0.14793(18) 0.3789(3) 0.03019(17) 0.0354(9) Uani 1 1 d . A .
H219 H 0.1788 0.3988 0.0633 0.042 Uiso 1 1 calc R . .
C220 C 0.1227(2) 0.4391(3) -0.01495(19) 0.0471(11) Uani 1 1 d . . .
H220 H 0.1359 0.5006 -0.0123 0.056 Uiso 1 1 calc R A .
C221 C 0.07878(19) 0.4101(3) -0.06347(19) 0.0453(11) Uani 1 1 d . A .
H221 H 0.0622 0.4511 -0.0945 0.054 Uiso 1 1 calc R . .
C222 C 0.05856(16) 0.3209(3) -0.06719(17) 0.0402(10) Uani 1 1 d . . .
H222 H 0.0278 0.3013 -0.1005 0.048 Uiso 1 1 calc R A .
C223 C 0.08327(15) 0.2609(3) -0.02231(15) 0.0283(8) Uani 1 1 d . A .
H223 H 0.0697 0.1996 -0.0251 0.034 Uiso 1 1 calc R . .
Si Si 0.0000 0.0000 0.0000 0.0216(3) Uani 1 2 d S . .
F1 F 0.04802(8) -0.01795(16) -0.02498(9) 0.0330(5) Uani 1 1 d . . .
F3 F 0.00061(9) -0.11235(14) 0.01428(11) 0.0389(6) Uani 1 1 d . . .
F2 F 0.05197(8) 0.01798(16) 0.06562(9) 0.0329(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag P2 2.4160(9) . ?
Ag P1 2.4213(9) . ?
Ag F2 2.482(2) . ?
Ag F1 2.542(2) . ?
Fe1 C101 2.005(4) . ?
Fe1 C105 2.017(4) . ?
Fe1 C107 2.023(3) . ?
Fe1 C102 2.026(4) . ?
Fe1 C106 2.031(3) . ?
Fe1 C110 2.033(3) . ?
Fe1 C109 2.033(4) . ?
Fe1 C104 2.039(5) . ?
Fe1 C103 2.041(4) . ?
Fe1 C108 2.043(4) . ?
Fe2 C205 2.019(4) . ?
Fe2 C201 2.021(4) . ?
Fe2 C207 2.029(4) . ?
Fe2 C208 2.030(4) . ?
Fe2 C209 2.039(4) . ?
Fe2 C202 2.040(4) . ?
Fe2 C206 2.040(3) . ?
Fe2 C204 2.041(4) . ?
Fe2 C210 2.044(4) . ?
Fe2 C203 2.052(4) . ?
P1 C106 1.796(3) . ?
P1 C112 1.821(3) . ?
P1 C118 1.823(3) . ?
P2 C206 1.791(3) . ?
P2 C218 1.816(3) . ?
P2 C212 1.834(3) . ?
N1 C111 1.144(7) . ?
N2A C21A 1.170(15) . ?
N2B C21B 1.172(14) . ?
N2B N2B 1.34(2) 2 ?
C101 C105 1.399(7) . ?
C101 C102 1.427(6) . ?
C101 C111 1.438(7) . ?
C102 C103 1.418(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.389(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.392(8) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.425(5) . ?
C106 C110 1.432(5) . ?
C107 C108 1.424(5) . ?
C107 H107 0.9500 . ?
C108 C109 1.402(5) . ?
C108 H108 0.9500 . ?
C109 C110 1.412(5) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C117 1.384(5) . ?
C112 C113 1.395(5) . ?
C113 C114 1.381(6) . ?
C113 H113 0.9500 . ?
C114 C115 1.391(6) . ?
C114 H114 0.9500 . ?
C115 C116 1.377(6) . ?
C115 H115 0.9500 . ?
C116 C117 1.389(5) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.386(5) . ?
C118 C119 1.392(5) . ?
C119 C120 1.384(5) . ?
C119 H119 0.9500 . ?
C120 C121 1.378(6) . ?
C120 H120 0.9500 . ?
C121 C122 1.376(6) . ?
C121 H121 0.9500 . ?
C122 C123 1.389(5) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C201 C21A 1.308(11) . ?
C201 C202 1.409(6) . ?
C201 C205 1.424(7) . ?
C201 H201 0.9500 . ?
C202 C203 1.414(6) . ?
C202 H202 0.9500 . ?
C203 C204 1.409(5) . ?
C203 H203 0.9500 . ?
C204 C21B 1.337(11) . ?
C204 C205 1.383(7) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C207 1.415(5) . ?
C206 C210 1.436(5) . ?
C207 C208 1.423(6) . ?
C207 H207 0.9500 . ?
C208 C209 1.402(8) . ?
C208 H208 0.9500 . ?
C209 C210 1.409(6) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C21A H201 0.3689 . ?
C21B H204 0.4125 . ?
C212 C217 1.380(5) . ?
C212 C213 1.398(5) . ?
C213 C214 1.377(5) . ?
C213 H213 0.9500 . ?
C214 C215 1.383(6) . ?
C214 H214 0.9500 . ?
C215 C216 1.373(6) . ?
C215 H215 0.9500 . ?
C216 C217 1.391(5) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C219 1.390(5) . ?
C218 C223 1.394(5) . ?
C219 C220 1.389(6) . ?
C219 H219 0.9500 . ?
C220 C221 1.375(6) . ?
C220 H220 0.9500 . ?
C221 C222 1.387(6) . ?
C221 H221 0.9500 . ?
C222 C223 1.382(5) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
Si F3 1.669(2) . ?
Si F3 1.669(2) 5 ?
Si F1 1.691(2) . ?
Si F1 1.691(2) 5 ?
Si F2 1.704(2) 5 ?
Si F2 1.704(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ag P1 132.44(3) . . ?
P2 Ag F2 103.08(6) . . ?
P1 Ag F2 122.30(6) . . ?
P2 Ag F1 130.00(6) . . ?
P1 Ag F1 89.93(5) . . ?
F2 Ag F1 56.67(7) . . ?
C101 Fe1 C105 40.7(2) . . ?
C101 Fe1 C107 155.82(17) . . ?
C105 Fe1 C107 118.9(2) . . ?
C101 Fe1 C102 41.46(18) . . ?
C105 Fe1 C102 69.0(2) . . ?
C107 Fe1 C102 159.20(17) . . ?
C101 Fe1 C106 162.00(18) . . ?
C105 Fe1 C106 156.44(19) . . ?
C107 Fe1 C106 41.16(14) . . ?
C102 Fe1 C106 125.00(16) . . ?
C101 Fe1 C110 124.92(18) . . ?
C105 Fe1 C110 158.75(19) . . ?
C107 Fe1 C110 69.20(15) . . ?
C102 Fe1 C110 110.88(18) . . ?
C106 Fe1 C110 41.27(13) . . ?
C101 Fe1 C109 108.11(16) . . ?
C105 Fe1 C109 121.03(19) . . ?
C107 Fe1 C109 68.64(15) . . ?
C102 Fe1 C109 125.87(19) . . ?
C106 Fe1 C109 68.79(14) . . ?
C110 Fe1 C109 40.64(15) . . ?
C101 Fe1 C104 68.2(2) . . ?
C105 Fe1 C104 40.2(2) . . ?
C107 Fe1 C104 104.3(2) . . ?
C102 Fe1 C104 68.6(2) . . ?
C106 Fe1 C104 122.29(19) . . ?
C110 Fe1 C104 160.9(2) . . ?
C109 Fe1 C104 155.3(2) . . ?
C101 Fe1 C103 68.21(18) . . ?
C105 Fe1 C103 67.4(2) . . ?
C107 Fe1 C103 121.53(18) . . ?
C102 Fe1 C103 40.8(2) . . ?
C106 Fe1 C103 109.45(16) . . ?
C110 Fe1 C103 127.33(19) . . ?
C109 Fe1 C103 163.6(2) . . ?
C104 Fe1 C103 39.8(2) . . ?
C101 Fe1 C108 121.01(16) . . ?
C105 Fe1 C108 104.0(2) . . ?
C107 Fe1 C108 41.00(14) . . ?
C102 Fe1 C108 159.65(18) . . ?
C106 Fe1 C108 68.86(15) . . ?
C110 Fe1 C108 68.42(16) . . ?
C109 Fe1 C108 40.24(16) . . ?
C104 Fe1 C108 119.1(2) . . ?
C103 Fe1 C108 155.7(2) . . ?
C205 Fe2 C201 41.28(19) . . ?
C205 Fe2 C207 154.92(19) . . ?
C201 Fe2 C207 162.06(18) . . ?
C205 Fe2 C208 119.07(18) . . ?
C201 Fe2 C208 156.2(2) . . ?
C207 Fe2 C208 41.06(17) . . ?
C205 Fe2 C209 106.23(18) . . ?
C201 Fe2 C209 122.3(2) . . ?
C207 Fe2 C209 68.5(2) . . ?
C208 Fe2 C209 40.3(2) . . ?
C205 Fe2 C202 68.64(17) . . ?
C201 Fe2 C202 40.60(18) . . ?
C207 Fe2 C202 124.83(17) . . ?
C208 Fe2 C202 160.1(2) . . ?
C209 Fe2 C202 159.1(2) . . ?
C205 Fe2 C206 162.30(19) . . ?
C201 Fe2 C206 126.00(18) . . ?
C207 Fe2 C206 40.70(15) . . ?
C208 Fe2 C206 68.76(15) . . ?
C209 Fe2 C206 68.68(15) . . ?
C202 Fe2 C206 109.71(14) . . ?
C205 Fe2 C204 39.82(19) . . ?
C201 Fe2 C204 68.05(19) . . ?
C207 Fe2 C204 120.61(19) . . ?
C208 Fe2 C204 105.28(19) . . ?
C209 Fe2 C204 121.73(18) . . ?
C202 Fe2 C204 68.11(16) . . ?
C206 Fe2 C204 157.35(17) . . ?
C205 Fe2 C210 124.19(18) . . ?
C201 Fe2 C210 109.35(19) . . ?
C207 Fe2 C210 68.56(18) . . ?
C208 Fe2 C210 68.1(2) . . ?
C209 Fe2 C210 40.36(18) . . ?
C202 Fe2 C210 124.65(17) . . ?
C206 Fe2 C210 41.16(14) . . ?
C204 Fe2 C210 158.73(16) . . ?
C205 Fe2 C203 67.68(17) . . ?
C201 Fe2 C203 67.93(18) . . ?
C207 Fe2 C203 107.62(18) . . ?
C208 Fe2 C203 122.6(2) . . ?
C209 Fe2 C203 158.1(2) . . ?
C202 Fe2 C203 40.44(16) . . ?
C206 Fe2 C203 123.32(15) . . ?
C204 Fe2 C203 40.27(16) . . ?
C210 Fe2 C203 160.18(16) . . ?
C106 P1 C112 103.71(15) . . ?
C106 P1 C118 103.42(15) . . ?
C112 P1 C118 103.69(16) . . ?
C106 P1 Ag 117.77(11) . . ?
C112 P1 Ag 112.70(11) . . ?
C118 P1 Ag 113.99(11) . . ?
C206 P2 C218 108.50(16) . . ?
C206 P2 C212 103.29(15) . . ?
C218 P2 C212 103.32(15) . . ?
C206 P2 Ag 117.18(12) . . ?
C218 P2 Ag 112.75(11) . . ?
C212 P2 Ag 110.51(11) . . ?
C21B N2B N2B 120.0(13) . 2 ?
C105 C101 C102 108.2(4) . . ?
C105 C101 C111 127.0(5) . . ?
C102 C101 C111 124.8(5) . . ?
C105 C101 Fe1 70.1(3) . . ?
C102 C101 Fe1 70.1(2) . . ?
C111 C101 Fe1 125.6(3) . . ?
C103 C102 C101 105.8(4) . . ?
C103 C102 Fe1 70.2(2) . . ?
C101 C102 Fe1 68.5(2) . . ?
C103 C102 H102 127.1 . . ?
C101 C102 H102 127.1 . . ?
Fe1 C102 H102 125.8 . . ?
C104 C103 C102 109.3(5) . . ?
C104 C103 Fe1 70.0(3) . . ?
C102 C103 Fe1 69.0(2) . . ?
C104 C103 H103 125.3 . . ?
C102 C103 H103 125.3 . . ?
Fe1 C103 H103 127.2 . . ?
C103 C104 C105 108.1(5) . . ?
C103 C104 Fe1 70.2(3) . . ?
C105 C104 Fe1 69.1(3) . . ?
C103 C104 H104 126.0 . . ?
C105 C104 H104 126.0 . . ?
Fe1 C104 H104 126.4 . . ?
C104 C105 C101 108.6(5) . . ?
C104 C105 Fe1 70.8(3) . . ?
C101 C105 Fe1 69.2(2) . . ?
C104 C105 H105 125.7 . . ?
C101 C105 H105 125.7 . . ?
Fe1 C105 H105 125.9 . . ?
C107 C106 C110 107.4(3) . . ?
C107 C106 P1 123.5(3) . . ?
C110 C106 P1 129.1(3) . . ?
C107 C106 Fe1 69.13(19) . . ?
C110 C106 Fe1 69.45(19) . . ?
P1 C106 Fe1 125.79(17) . . ?
C108 C107 C106 107.9(3) . . ?
C108 C107 Fe1 70.3(2) . . ?
C106 C107 Fe1 69.71(19) . . ?
C108 C107 H107 126.1 . . ?
C106 C107 H107 126.1 . . ?
Fe1 C107 H107 125.6 . . ?
C109 C108 C107 108.0(3) . . ?
C109 C108 Fe1 69.5(2) . . ?
C107 C108 Fe1 68.7(2) . . ?
C109 C108 H108 126.0 . . ?
C107 C108 H108 126.0 . . ?
Fe1 C108 H108 127.3 . . ?
C108 C109 C110 109.0(3) . . ?
C108 C109 Fe1 70.3(2) . . ?
C110 C109 Fe1 69.68(19) . . ?
C108 C109 H109 125.5 . . ?
C110 C109 H109 125.5 . . ?
Fe1 C109 H109 126.2 . . ?
C109 C110 C106 107.6(3) . . ?
C109 C110 Fe1 69.7(2) . . ?
C106 C110 Fe1 69.28(19) . . ?
C109 C110 H110 126.2 . . ?
C106 C110 H110 126.2 . . ?
Fe1 C110 H110 126.4 . . ?
N1 C111 C101 178.7(7) . . ?
C117 C112 C113 118.3(3) . . ?
C117 C112 P1 122.0(3) . . ?
C113 C112 P1 119.6(3) . . ?
C114 C113 C112 121.1(4) . . ?
C114 C113 H113 119.5 . . ?
C112 C113 H113 119.5 . . ?
C113 C114 C115 119.7(4) . . ?
C113 C114 H114 120.1 . . ?
C115 C114 H114 120.1 . . ?
C116 C115 C114 119.8(4) . . ?
C116 C115 H115 120.1 . . ?
C114 C115 H115 120.1 . . ?
C115 C116 C117 120.0(4) . . ?
C115 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C112 C117 C116 121.0(4) . . ?
C112 C117 H117 119.5 . . ?
C116 C117 H117 119.5 . . ?
C123 C118 C119 119.5(3) . . ?
C123 C118 P1 119.0(3) . . ?
C119 C118 P1 121.4(3) . . ?
C120 C119 C118 119.8(4) . . ?
C120 C119 H119 120.1 . . ?
C118 C119 H119 120.1 . . ?
C121 C120 C119 120.4(4) . . ?
C121 C120 H120 119.8 . . ?
C119 C120 H120 119.8 . . ?
C122 C121 C120 120.0(4) . . ?
C122 C121 H121 120.0 . . ?
C120 C121 H121 120.0 . . ?
C121 C122 C123 120.1(4) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 H122 119.9 . . ?
C118 C123 C122 120.1(4) . . ?
C118 C123 H123 120.0 . . ?
C122 C123 H123 120.0 . . ?
C21A C201 C202 129.7(7) . . ?
C21A C201 C205 122.5(7) . . ?
C202 C201 C205 107.8(4) . . ?
C21A C201 Fe2 123.1(5) . . ?
C202 C201 Fe2 70.4(2) . . ?
C205 C201 Fe2 69.3(3) . . ?
C202 C201 H201 126.4 . . ?
C205 C201 H201 125.9 . . ?
Fe2 C201 H201 126.5 . . ?
C201 C202 C203 107.4(4) . . ?
C201 C202 Fe2 69.0(2) . . ?
C203 C202 Fe2 70.3(2) . . ?
C201 C202 H202 126.3 . . ?
C203 C202 H202 126.3 . . ?
Fe2 C202 H202 126.0 . . ?
C204 C203 C202 108.1(4) . . ?
C204 C203 Fe2 69.4(2) . . ?
C202 C203 Fe2 69.3(2) . . ?
C204 C203 H203 126.0 . . ?
C202 C203 H203 126.0 . . ?
Fe2 C203 H203 126.9 . . ?
C21B C204 C205 119.0(7) . . ?
C21B C204 C203 132.3(7) . . ?
C205 C204 C203 108.6(4) . . ?
C21B C204 Fe2 123.7(5) . . ?
C205 C204 Fe2 69.2(2) . . ?
C203 C204 Fe2 70.3(2) . . ?
C205 C204 H204 125.4 . . ?
C203 C204 H204 126.0 . . ?
Fe2 C204 H204 127.4 . . ?
C204 C205 C201 108.2(4) . . ?
C204 C205 Fe2 70.9(2) . . ?
C201 C205 Fe2 69.4(2) . . ?
C204 C205 H205 125.9 . . ?
C201 C205 H205 125.9 . . ?
Fe2 C205 H205 125.3 . . ?
C207 C206 C210 107.2(3) . . ?
C207 C206 P2 123.0(3) . . ?
C210 C206 P2 129.7(3) . . ?
C207 C206 Fe2 69.2(2) . . ?
C210 C206 Fe2 69.6(2) . . ?
P2 C206 Fe2 129.87(18) . . ?
C206 C207 C208 108.1(4) . . ?
C206 C207 Fe2 70.1(2) . . ?
C208 C207 Fe2 69.5(2) . . ?
C206 C207 H207 125.9 . . ?
C208 C207 H207 125.9 . . ?
Fe2 C207 H207 126.1 . . ?
C209 C208 C207 108.2(4) . . ?
C209 C208 Fe2 70.2(3) . . ?
C207 C208 Fe2 69.5(2) . . ?
C209 C208 H208 125.9 . . ?
C207 C208 H208 125.9 . . ?
Fe2 C208 H208 126.0 . . ?
C208 C209 C210 108.5(4) . . ?
C208 C209 Fe2 69.5(3) . . ?
C210 C209 Fe2 70.0(2) . . ?
C208 C209 H209 125.7 . . ?
C210 C209 H209 125.7 . . ?
Fe2 C209 H209 126.3 . . ?
C209 C210 C206 108.0(4) . . ?
C209 C210 Fe2 69.6(3) . . ?
C206 C210 Fe2 69.3(2) . . ?
C209 C210 H210 126.0 . . ?
C206 C210 H210 126.0 . . ?
Fe2 C210 H210 126.7 . . ?
N2A C21A C201 178.5(15) . . ?
N2A C21A H201 166.6 . . ?
N2B C21B C204 170.4(13) . . ?
N2B C21B H204 154.0 . . ?
C217 C212 C213 119.1(3) . . ?
C217 C212 P2 123.2(3) . . ?
C213 C212 P2 117.6(3) . . ?
C214 C213 C212 120.2(3) . . ?
C214 C213 H213 119.9 . . ?
C212 C213 H213 119.9 . . ?
C213 C214 C215 120.4(4) . . ?
C213 C214 H214 119.8 . . ?
C215 C214 H214 119.8 . . ?
C216 C215 C214 119.7(4) . . ?
C216 C215 H215 120.2 . . ?
C214 C215 H215 120.2 . . ?
C215 C216 C217 120.4(4) . . ?
C215 C216 H216 119.8 . . ?
C217 C216 H216 119.8 . . ?
C212 C217 C216 120.2(3) . . ?
C212 C217 H217 119.9 . . ?
C216 C217 H217 119.9 . . ?
C219 C218 C223 119.2(3) . . ?
C219 C218 P2 122.8(3) . . ?
C223 C218 P2 117.9(3) . . ?
C220 C219 C218 120.0(4) . . ?
C220 C219 H219 120.0 . . ?
C218 C219 H219 120.0 . . ?
C221 C220 C219 120.3(4) . . ?
C221 C220 H220 119.8 . . ?
C219 C220 H220 119.8 . . ?
C220 C221 C222 120.2(4) . . ?
C220 C221 H221 119.9 . . ?
C222 C221 H221 119.9 . . ?
C223 C222 C221 119.8(4) . . ?
C223 C222 H222 120.1 . . ?
C221 C222 H222 120.1 . . ?
C222 C223 C218 120.5(4) . . ?
C222 C223 H223 119.8 . . ?
C218 C223 H223 119.8 . . ?
F3 Si F3 180.00(19) . 5 ?
F3 Si F1 90.01(11) . . ?
F3 Si F1 89.99(11) 5 . ?
F3 Si F1 89.99(11) . 5 ?
F3 Si F1 90.01(11) 5 5 ?
F1 Si F1 180.00(18) . 5 ?
F3 Si F2 90.12(11) . 5 ?
F3 Si F2 89.88(11) 5 5 ?
F1 Si F2 90.73(10) . 5 ?
F1 Si F2 89.27(10) 5 5 ?
F3 Si F2 89.88(11) . . ?
F3 Si F2 90.12(11) 5 . ?
F1 Si F2 89.27(10) . . ?
F1 Si F2 90.73(10) 5 . ?
F2 Si F2 180.0(2) 5 . ?
Si F1 Ag 104.01(10) . . ?
Si F2 Ag 106.07(10) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.089
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks154
_database_code_depnum_ccdc_archive 'CCDC 1470462'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H36 Ag2 Cl2 Fe2 N2 O8 P2'
_chemical_formula_sum            'C46 H36 Ag2 Cl2 Fe2 N2 O8 P2'
_chemical_formula_weight         1205.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.4383(2)
_cell_length_b                   11.2773(3)
_cell_length_c                   22.8008(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.6940(10)
_cell_angle_gamma                90.00
_cell_volume                     2150.22(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7143
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      27.49

_exptl_crystal_description       bar
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_absorpt_coefficient_mu    1.816
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.509
_exptl_absorpt_correction_T_max  0.883

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19998
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4929
_reflns_number_gt                4037
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0218P)²+1.2870P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4929
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0561
_refine_ls_wR_factor_gt          0.0522
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag -0.08150(2) 0.268491(18) 0.029930(8) 0.02388(6) Uani 1 1 d . . .
N N 0.2429(2) 0.60657(19) 0.01670(9) 0.0236(5) Uani 1 1 d . . .
Fe Fe 0.38569(4) 0.35223(3) 0.136137(14) 0.01569(8) Uani 1 1 d . . .
Cl Cl 0.09973(6) 0.30775(5) -0.09903(2) 0.01944(13) Uani 1 1 d . . .
P P 0.05656(7) 0.17201(5) 0.11319(3) 0.01496(13) Uani 1 1 d . . .
O1 O 0.0298(2) 0.21721(17) -0.06554(8) 0.0330(4) Uani 1 1 d . . .
O2 O 0.0096(2) 0.3178(2) -0.15597(8) 0.0441(5) Uani 1 1 d . . .
O3 O 0.0991(2) 0.41818(18) -0.06812(10) 0.0441(5) Uani 1 1 d . . .
O4 O 0.2616(2) 0.27376(17) -0.10447(9) 0.0355(5) Uani 1 1 d . . .
C1 C 0.4245(3) 0.4387(2) 0.06160(10) 0.0174(5) Uani 1 1 d . . .
C2 C 0.4080(3) 0.3143(2) 0.04997(11) 0.0214(5) Uani 1 1 d . . .
H2 H 0.3299 0.2774 0.0219 0.026 Uiso 1 1 calc R . .
C3 C 0.5296(3) 0.2568(2) 0.08801(12) 0.0295(6) Uani 1 1 d . . .
H3 H 0.5476 0.1737 0.0902 0.035 Uiso 1 1 calc R . .
C4 C 0.6210(3) 0.3443(3) 0.12267(12) 0.0302(6) Uani 1 1 d . . .
H4 H 0.7105 0.3292 0.1517 0.036 Uiso 1 1 calc R . .
C5 C 0.5571(3) 0.4565(2) 0.10686(11) 0.0230(6) Uani 1 1 d . . .
H5 H 0.5947 0.5304 0.1232 0.028 Uiso 1 1 calc R . .
C6 C 0.1864(3) 0.2722(2) 0.15832(10) 0.0172(5) Uani 1 1 d . . .
C7 C 0.1668(3) 0.3983(2) 0.15767(10) 0.0198(5) Uani 1 1 d . . .
H7 H 0.0860 0.4414 0.1336 0.024 Uiso 1 1 calc R . .
C8 C 0.2891(3) 0.4474(2) 0.19925(11) 0.0248(6) Uani 1 1 d . . .
H8 H 0.3048 0.5293 0.2079 0.030 Uiso 1 1 calc R . .
C9 C 0.3846(3) 0.3524(2) 0.22582(11) 0.0253(6) Uani 1 1 d . . .
H9 H 0.4750 0.3603 0.2552 0.030 Uiso 1 1 calc R . .
C10 C 0.3222(3) 0.2450(2) 0.20117(10) 0.0197(5) Uani 1 1 d . . .
H10 H 0.3628 0.1680 0.2111 0.024 Uiso 1 1 calc R . .
C11 C 0.3224(3) 0.5307(2) 0.03613(10) 0.0178(5) Uani 1 1 d . . .
C12 C -0.0720(2) 0.1140(2) 0.16475(10) 0.0153(5) Uani 1 1 d . . .
C13 C -0.1635(3) 0.0131(2) 0.14966(11) 0.0204(5) Uani 1 1 d . . .
H13 H -0.1512 -0.0291 0.1145 0.024 Uiso 1 1 calc R . .
C14 C -0.2726(3) -0.0259(2) 0.18592(12) 0.0261(6) Uani 1 1 d . . .
H14 H -0.3337 -0.0955 0.1758 0.031 Uiso 1 1 calc R . .
C15 C -0.2925(3) 0.0362(2) 0.23680(12) 0.0280(6) Uani 1 1 d . . .
H15 H -0.3688 0.0104 0.2611 0.034 Uiso 1 1 calc R . .
C16 C -0.2012(3) 0.1358(2) 0.25214(11) 0.0277(6) Uani 1 1 d . . .
H16 H -0.2142 0.1782 0.2872 0.033 Uiso 1 1 calc R . .
C17 C -0.0907(3) 0.1742(2) 0.21656(11) 0.0212(5) Uani 1 1 d . . .
H17 H -0.0271 0.2421 0.2277 0.025 Uiso 1 1 calc R . .
C18 C 0.1787(2) 0.0470(2) 0.09624(10) 0.0164(5) Uani 1 1 d . . .
C19 C 0.2395(3) -0.0344(2) 0.13901(11) 0.0215(5) Uani 1 1 d . . .
H19 H 0.2136 -0.0276 0.1782 0.026 Uiso 1 1 calc R . .
C20 C 0.3378(3) -0.1255(2) 0.12497(13) 0.0285(6) Uani 1 1 d . . .
H20 H 0.3776 -0.1817 0.1543 0.034 Uiso 1 1 calc R . .
C21 C 0.3780(3) -0.1349(2) 0.06844(13) 0.0301(6) Uani 1 1 d . . .
H21 H 0.4492 -0.1954 0.0593 0.036 Uiso 1 1 calc R . .
C22 C 0.3148(3) -0.0564(2) 0.02541(12) 0.0281(6) Uani 1 1 d . . .
H22 H 0.3401 -0.0644 -0.0138 0.034 Uiso 1 1 calc R . .
C23 C 0.2143(3) 0.0342(2) 0.03867(11) 0.0209(5) Uani 1 1 d . . .
H23 H 0.1699 0.0874 0.0086 0.025 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N 2.141(2) 3_565 ?
Ag P 2.3564(6) . ?
Ag O1 2.5500(18) . ?
N C11 1.139(3) . ?
N Ag 2.141(2) 3_565 ?
Fe C1 2.024(2) . ?
Fe C6 2.031(2) . ?
Fe C10 2.040(2) . ?
Fe C7 2.041(2) . ?
Fe C5 2.044(2) . ?
Fe C2 2.044(2) . ?
Fe C9 2.046(2) . ?
Fe C3 2.048(2) . ?
Fe C8 2.049(2) . ?
Fe C4 2.052(2) . ?
Cl O2 1.4184(19) . ?
Cl O3 1.431(2) . ?
Cl O4 1.4398(18) . ?
Cl O1 1.4473(18) . ?
P C6 1.798(2) . ?
P C18 1.818(2) . ?
P C12 1.824(2) . ?
C1 C11 1.422(3) . ?
C1 C5 1.431(3) . ?
C1 C2 1.432(3) . ?
C2 C3 1.410(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.425(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.404(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.431(3) . ?
C6 C10 1.436(3) . ?
C7 C8 1.418(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.425(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.408(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C12 C17 1.389(3) . ?
C12 C13 1.392(3) . ?
C13 C14 1.389(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.387(3) . ?
C18 C23 1.393(3) . ?
C19 C20 1.384(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.380(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.375(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Ag P 156.50(6) 3_565 . ?
N Ag O1 90.45(7) 3_565 . ?
P Ag O1 112.59(5) . . ?
C11 N Ag 171.7(2) . 3_565 ?
C1 Fe C6 130.97(9) . . ?
C1 Fe C10 169.71(10) . . ?
C6 Fe C10 41.31(9) . . ?
C1 Fe C7 109.44(9) . . ?
C6 Fe C7 41.15(9) . . ?
C10 Fe C7 69.01(10) . . ?
C1 Fe C5 41.18(9) . . ?
C6 Fe C5 169.24(10) . . ?
C10 Fe C5 147.63(9) . . ?
C7 Fe C5 129.42(10) . . ?
C1 Fe C2 41.22(9) . . ?
C6 Fe C2 109.39(10) . . ?
C10 Fe C2 129.89(10) . . ?
C7 Fe C2 119.15(10) . . ?
C5 Fe C2 69.29(10) . . ?
C1 Fe C9 149.49(10) . . ?
C6 Fe C9 68.71(9) . . ?
C10 Fe C9 40.31(10) . . ?
C7 Fe C9 68.52(10) . . ?
C5 Fe C9 115.09(10) . . ?
C2 Fe C9 166.96(10) . . ?
C1 Fe C3 68.23(10) . . ?
C6 Fe C3 118.03(11) . . ?
C10 Fe C3 108.06(10) . . ?
C7 Fe C3 152.04(11) . . ?
C5 Fe C3 68.35(11) . . ?
C2 Fe C3 40.30(10) . . ?
C9 Fe C3 128.21(11) . . ?
C1 Fe C8 117.49(10) . . ?
C6 Fe C8 68.75(10) . . ?
C10 Fe C8 68.42(10) . . ?
C7 Fe C8 40.56(10) . . ?
C5 Fe C8 107.07(10) . . ?
C2 Fe C8 151.77(10) . . ?
C9 Fe C8 40.72(11) . . ?
C3 Fe C8 166.27(11) . . ?
C1 Fe C4 68.08(10) . . ?
C6 Fe C4 150.23(10) . . ?
C10 Fe C4 115.88(10) . . ?
C7 Fe C4 166.52(11) . . ?
C5 Fe C4 40.08(10) . . ?
C2 Fe C4 68.38(10) . . ?
C9 Fe C4 106.49(10) . . ?
C3 Fe C4 40.67(11) . . ?
C8 Fe C4 127.72(11) . . ?
O2 Cl O3 110.16(14) . . ?
O2 Cl O4 109.93(12) . . ?
O3 Cl O4 109.88(12) . . ?
O2 Cl O1 109.42(12) . . ?
O3 Cl O1 108.99(12) . . ?
O4 Cl O1 108.43(11) . . ?
C6 P C18 106.83(10) . . ?
C6 P C12 103.05(10) . . ?
C18 P C12 105.19(11) . . ?
C6 P Ag 111.62(8) . . ?
C18 P Ag 114.84(8) . . ?
C12 P Ag 114.34(7) . . ?
Cl O1 Ag 120.88(11) . . ?
C11 C1 C5 124.4(2) . . ?
C11 C1 C2 126.9(2) . . ?
C5 C1 C2 108.5(2) . . ?
C11 C1 Fe 122.50(16) . . ?
C5 C1 Fe 70.15(13) . . ?
C2 C1 Fe 70.14(13) . . ?
C3 C2 C1 107.0(2) . . ?
C3 C2 Fe 70.00(14) . . ?
C1 C2 Fe 68.64(13) . . ?
C3 C2 H2 126.5 . . ?
C1 C2 H2 126.5 . . ?
Fe C2 H2 126.4 . . ?
C2 C3 C4 108.6(2) . . ?
C2 C3 Fe 69.70(14) . . ?
C4 C3 Fe 69.81(14) . . ?
C2 C3 H3 125.7 . . ?
C4 C3 H3 125.7 . . ?
Fe C3 H3 126.4 . . ?
C5 C4 C3 108.7(2) . . ?
C5 C4 Fe 69.65(14) . . ?
C3 C4 Fe 69.52(14) . . ?
C5 C4 H4 125.7 . . ?
C3 C4 H4 125.7 . . ?
Fe C4 H4 126.8 . . ?
C4 C5 C1 107.2(2) . . ?
C4 C5 Fe 70.26(15) . . ?
C1 C5 Fe 68.66(13) . . ?
C4 C5 H5 126.4 . . ?
C1 C5 H5 126.4 . . ?
Fe C5 H5 126.2 . . ?
C7 C6 C10 107.5(2) . . ?
C7 C6 P 123.88(17) . . ?
C10 C6 P 128.64(18) . . ?
C7 C6 Fe 69.80(13) . . ?
C10 C6 Fe 69.67(13) . . ?
P C6 Fe 126.72(12) . . ?
C8 C7 C6 107.9(2) . . ?
C8 C7 Fe 70.03(13) . . ?
C6 C7 Fe 69.06(13) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
Fe C7 H7 126.5 . . ?
C7 C8 C9 108.1(2) . . ?
C7 C8 Fe 69.42(13) . . ?
C9 C8 Fe 69.52(14) . . ?
C7 C8 H8 126.0 . . ?
C9 C8 H8 126.0 . . ?
Fe C8 H8 126.7 . . ?
C10 C9 C8 108.5(2) . . ?
C10 C9 Fe 69.61(14) . . ?
C8 C9 Fe 69.76(14) . . ?
C10 C9 H9 125.7 . . ?
C8 C9 H9 125.7 . . ?
Fe C9 H9 126.5 . . ?
C9 C10 C6 108.0(2) . . ?
C9 C10 Fe 70.08(14) . . ?
C6 C10 Fe 69.02(13) . . ?
C9 C10 H10 126.0 . . ?
C6 C10 H10 126.0 . . ?
Fe C10 H10 126.5 . . ?
N C11 C1 178.1(3) . . ?
C17 C12 C13 119.2(2) . . ?
C17 C12 P 121.17(18) . . ?
C13 C12 P 119.45(18) . . ?
C14 C13 C12 120.1(2) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 120.2(2) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.2(2) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C12 120.5(2) . . ?
C16 C17 H17 119.8 . . ?
C12 C17 H17 119.8 . . ?
C19 C18 C23 119.2(2) . . ?
C19 C18 P 122.06(18) . . ?
C23 C18 P 118.73(18) . . ?
C20 C19 C18 120.3(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 120.2(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 119.7(2) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.6(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C18 119.8(2) . . ?
C22 C23 H23 120.1 . . ?
C18 C23 H23 120.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N Ag P C6 -62.90(17) 3_565 . . . ?
O1 Ag P C6 105.11(9) . . . . ?
N Ag P C18 175.33(16) 3_565 . . . ?
O1 Ag P C18 -16.67(10) . . . . ?
N Ag P C12 53.57(17) 3_565 . . . ?
O1 Ag P C12 -138.42(10) . . . . ?
O2 Cl O1 Ag -117.92(13) . . . . ?
O3 Cl O1 Ag 2.60(16) . . . . ?
O4 Cl O1 Ag 122.18(12) . . . . ?
N Ag O1 Cl 58.13(13) 3_565 . . . ?
P Ag O1 Cl -117.11(11) . . . . ?
C6 Fe C1 C11 50.7(2) . . . . ?
C10 Fe C1 C11 88.9(6) . . . . ?
C7 Fe C1 C11 9.4(2) . . . . ?
C5 Fe C1 C11 -118.8(3) . . . . ?
C2 Fe C1 C11 121.8(3) . . . . ?
C9 Fe C1 C11 -71.0(3) . . . . ?
C3 Fe C1 C11 159.6(2) . . . . ?
C8 Fe C1 C11 -34.1(2) . . . . ?
C4 Fe C1 C11 -156.4(2) . . . . ?
C6 Fe C1 C5 169.58(14) . . . . ?
C10 Fe C1 C5 -152.3(5) . . . . ?
C7 Fe C1 C5 128.26(15) . . . . ?
C2 Fe C1 C5 -119.3(2) . . . . ?
C9 Fe C1 C5 47.8(2) . . . . ?
C3 Fe C1 C5 -81.55(16) . . . . ?
C8 Fe C1 C5 84.70(16) . . . . ?
C4 Fe C1 C5 -37.57(15) . . . . ?
C6 Fe C1 C2 -71.09(17) . . . . ?
C10 Fe C1 C2 -32.9(6) . . . . ?
C7 Fe C1 C2 -112.41(14) . . . . ?
C5 Fe C1 C2 119.3(2) . . . . ?
C9 Fe C1 C2 167.15(19) . . . . ?
C3 Fe C1 C2 37.78(15) . . . . ?
C8 Fe C1 C2 -155.97(14) . . . . ?
C4 Fe C1 C2 81.76(15) . . . . ?
C11 C1 C2 C3 -176.1(2) . . . . ?
C5 C1 C2 C3 0.1(3) . . . . ?
Fe C1 C2 C3 -59.78(16) . . . . ?
C11 C1 C2 Fe -116.3(2) . . . . ?
C5 C1 C2 Fe 59.88(16) . . . . ?
C1 Fe C2 C3 118.4(2) . . . . ?
C6 Fe C2 C3 -110.82(16) . . . . ?
C10 Fe C2 C3 -68.86(19) . . . . ?
C7 Fe C2 C3 -154.95(16) . . . . ?
C5 Fe C2 C3 80.55(17) . . . . ?
C9 Fe C2 C3 -31.6(5) . . . . ?
C8 Fe C2 C3 168.2(2) . . . . ?
C4 Fe C2 C3 37.44(16) . . . . ?
C6 Fe C2 C1 130.78(13) . . . . ?
C10 Fe C2 C1 172.73(13) . . . . ?
C7 Fe C2 C1 86.65(15) . . . . ?
C5 Fe C2 C1 -37.86(13) . . . . ?
C9 Fe C2 C1 -150.0(4) . . . . ?
C3 Fe C2 C1 -118.4(2) . . . . ?
C8 Fe C2 C1 49.8(3) . . . . ?
C4 Fe C2 C1 -80.97(15) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
Fe C2 C3 C4 -59.16(17) . . . . ?
C1 C2 C3 Fe 58.92(16) . . . . ?
C1 Fe C3 C2 -38.62(14) . . . . ?
C6 Fe C3 C2 87.34(16) . . . . ?
C10 Fe C3 C2 131.17(15) . . . . ?
C7 Fe C3 C2 52.1(3) . . . . ?
C5 Fe C3 C2 -83.10(16) . . . . ?
C9 Fe C3 C2 171.35(15) . . . . ?
C8 Fe C3 C2 -156.0(4) . . . . ?
C4 Fe C3 C2 -119.9(2) . . . . ?
C1 Fe C3 C4 81.26(16) . . . . ?
C6 Fe C3 C4 -152.79(15) . . . . ?
C10 Fe C3 C4 -108.96(16) . . . . ?
C7 Fe C3 C4 171.94(19) . . . . ?
C5 Fe C3 C4 36.77(15) . . . . ?
C2 Fe C3 C4 119.9(2) . . . . ?
C9 Fe C3 C4 -68.78(19) . . . . ?
C8 Fe C3 C4 -36.1(5) . . . . ?
C2 C3 C4 C5 0.3(3) . . . . ?
Fe C3 C4 C5 -58.79(17) . . . . ?
C2 C3 C4 Fe 59.09(17) . . . . ?
C1 Fe C4 C5 38.58(15) . . . . ?
C6 Fe C4 C5 174.63(18) . . . . ?
C10 Fe C4 C5 -151.82(15) . . . . ?
C7 Fe C4 C5 -43.4(5) . . . . ?
C2 Fe C4 C5 83.12(16) . . . . ?
C9 Fe C4 C5 -109.57(16) . . . . ?
C3 Fe C4 C5 120.2(2) . . . . ?
C8 Fe C4 C5 -69.96(19) . . . . ?
C1 Fe C4 C3 -81.66(16) . . . . ?
C6 Fe C4 C3 54.4(3) . . . . ?
C10 Fe C4 C3 87.95(17) . . . . ?
C7 Fe C4 C3 -163.6(4) . . . . ?
C5 Fe C4 C3 -120.2(2) . . . . ?
C2 Fe C4 C3 -37.11(15) . . . . ?
C9 Fe C4 C3 130.20(16) . . . . ?
C8 Fe C4 C3 169.81(15) . . . . ?
C3 C4 C5 C1 -0.2(3) . . . . ?
Fe C4 C5 C1 -58.95(16) . . . . ?
C3 C4 C5 Fe 58.70(17) . . . . ?
C11 C1 C5 C4 176.4(2) . . . . ?
C2 C1 C5 C4 0.1(3) . . . . ?
Fe C1 C5 C4 59.96(17) . . . . ?
C11 C1 C5 Fe 116.4(2) . . . . ?
C2 C1 C5 Fe -59.87(16) . . . . ?
C1 Fe C5 C4 -118.5(2) . . . . ?
C6 Fe C5 C4 -165.6(5) . . . . ?
C10 Fe C5 C4 52.5(3) . . . . ?
C7 Fe C5 C4 168.04(15) . . . . ?
C2 Fe C5 C4 -80.65(17) . . . . ?
C9 Fe C5 C4 86.01(18) . . . . ?
C3 Fe C5 C4 -37.29(16) . . . . ?
C8 Fe C5 C4 128.98(16) . . . . ?
C6 Fe C5 C1 -47.1(6) . . . . ?
C10 Fe C5 C1 171.06(17) . . . . ?
C7 Fe C5 C1 -73.42(18) . . . . ?
C2 Fe C5 C1 37.89(14) . . . . ?
C9 Fe C5 C1 -155.46(14) . . . . ?
C3 Fe C5 C1 81.24(16) . . . . ?
C8 Fe C5 C1 -112.49(15) . . . . ?
C4 Fe C5 C1 118.5(2) . . . . ?
C18 P C6 C7 148.12(19) . . . . ?
C12 P C6 C7 -101.3(2) . . . . ?
Ag P C6 C7 21.8(2) . . . . ?
C18 P C6 C10 -33.2(2) . . . . ?
C12 P C6 C10 77.3(2) . . . . ?
Ag P C6 C10 -159.50(19) . . . . ?
C18 P C6 Fe 59.16(17) . . . . ?
C12 P C6 Fe 169.71(14) . . . . ?
Ag P C6 Fe -67.13(15) . . . . ?
C1 Fe C6 C7 -71.10(18) . . . . ?
C10 Fe C6 C7 118.53(19) . . . . ?
C5 Fe C6 C7 -31.4(6) . . . . ?
C2 Fe C6 C7 -112.46(14) . . . . ?
C9 Fe C6 C7 81.30(15) . . . . ?
C3 Fe C6 C7 -155.70(14) . . . . ?
C8 Fe C6 C7 37.46(14) . . . . ?
C4 Fe C6 C7 167.40(19) . . . . ?
C1 Fe C6 C10 170.37(14) . . . . ?
C7 Fe C6 C10 -118.53(19) . . . . ?
C5 Fe C6 C10 -150.0(5) . . . . ?
C2 Fe C6 C10 129.01(14) . . . . ?
C9 Fe C6 C10 -37.23(14) . . . . ?
C3 Fe C6 C10 85.77(16) . . . . ?
C8 Fe C6 C10 -81.07(15) . . . . ?
C4 Fe C6 C10 48.9(3) . . . . ?
C1 Fe C6 P 46.7(2) . . . . ?
C10 Fe C6 P -123.7(2) . . . . ?
C7 Fe C6 P 117.8(2) . . . . ?
C5 Fe C6 P 86.4(6) . . . . ?
C2 Fe C6 P 5.34(18) . . . . ?
C9 Fe C6 P -160.89(18) . . . . ?
C3 Fe C6 P -37.89(19) . . . . ?
C8 Fe C6 P 155.26(18) . . . . ?
C4 Fe C6 P -74.8(3) . . . . ?
C10 C6 C7 C8 0.3(3) . . . . ?
P C6 C7 C8 179.20(17) . . . . ?
Fe C6 C7 C8 -59.45(16) . . . . ?
C10 C6 C7 Fe 59.74(15) . . . . ?
P C6 C7 Fe -121.35(17) . . . . ?
C1 Fe C7 C8 -109.91(16) . . . . ?
C6 Fe C7 C8 119.3(2) . . . . ?
C10 Fe C7 C8 80.94(16) . . . . ?
C5 Fe C7 C8 -67.90(18) . . . . ?
C2 Fe C7 C8 -154.14(15) . . . . ?
C9 Fe C7 C8 37.55(15) . . . . ?
C3 Fe C7 C8 170.1(2) . . . . ?
C4 Fe C7 C8 -33.0(5) . . . . ?
C1 Fe C7 C6 130.75(14) . . . . ?
C10 Fe C7 C6 -38.40(14) . . . . ?
C5 Fe C7 C6 172.76(13) . . . . ?
C2 Fe C7 C6 86.52(15) . . . . ?
C9 Fe C7 C6 -81.79(15) . . . . ?
C3 Fe C7 C6 50.8(3) . . . . ?
C8 Fe C7 C6 -119.3(2) . . . . ?
C4 Fe C7 C6 -152.3(4) . . . . ?
C6 C7 C8 C9 -0.1(3) . . . . ?
Fe C7 C8 C9 -58.95(17) . . . . ?
C6 C7 C8 Fe 58.84(16) . . . . ?
C1 Fe C8 C7 88.22(16) . . . . ?
C6 Fe C8 C7 -37.99(14) . . . . ?
C10 Fe C8 C7 -82.52(15) . . . . ?
C5 Fe C8 C7 131.52(15) . . . . ?
C2 Fe C8 C7 53.6(3) . . . . ?
C9 Fe C8 C7 -119.6(2) . . . . ?
C3 Fe C8 C7 -160.2(4) . . . . ?
C4 Fe C8 C7 170.77(15) . . . . ?
C1 Fe C8 C9 -152.16(15) . . . . ?
C6 Fe C8 C9 81.64(16) . . . . ?
C10 Fe C8 C9 37.11(14) . . . . ?
C7 Fe C8 C9 119.6(2) . . . . ?
C5 Fe C8 C9 -108.86(15) . . . . ?
C2 Fe C8 C9 173.3(2) . . . . ?
C3 Fe C8 C9 -40.6(5) . . . . ?
C4 Fe C8 C9 -69.60(19) . . . . ?
C7 C8 C9 C10 -0.1(3) . . . . ?
Fe C8 C9 C10 -59.00(17) . . . . ?
C7 C8 C9 Fe 58.88(17) . . . . ?
C1 Fe C9 C10 174.56(17) . . . . ?
C6 Fe C9 C10 38.12(14) . . . . ?
C7 Fe C9 C10 82.46(15) . . . . ?
C5 Fe C9 C10 -152.84(14) . . . . ?
C2 Fe C9 C10 -45.9(5) . . . . ?
C3 Fe C9 C10 -71.47(18) . . . . ?
C8 Fe C9 C10 119.9(2) . . . . ?
C4 Fe C9 C10 -110.78(16) . . . . ?
C1 Fe C9 C8 54.7(3) . . . . ?
C6 Fe C9 C8 -81.75(16) . . . . ?
C10 Fe C9 C8 -119.9(2) . . . . ?
C7 Fe C9 C8 -37.40(15) . . . . ?
C5 Fe C9 C8 87.30(16) . . . . ?
C2 Fe C9 C8 -165.8(4) . . . . ?
C3 Fe C9 C8 168.67(16) . . . . ?
C4 Fe C9 C8 129.35(16) . . . . ?
C8 C9 C10 C6 0.3(3) . . . . ?
Fe C9 C10 C6 -58.80(16) . . . . ?
C8 C9 C10 Fe 59.09(17) . . . . ?
C7 C6 C10 C9 -0.4(3) . . . . ?
P C6 C10 C9 -179.20(17) . . . . ?
Fe C6 C10 C9 59.46(16) . . . . ?
C7 C6 C10 Fe -59.82(15) . . . . ?
P C6 C10 Fe 121.34(19) . . . . ?
C1 Fe C10 C9 -164.4(5) . . . . ?
C6 Fe C10 C9 -119.4(2) . . . . ?
C7 Fe C10 C9 -81.14(16) . . . . ?
C5 Fe C10 C9 50.6(2) . . . . ?
C2 Fe C10 C9 167.80(15) . . . . ?
C3 Fe C10 C9 128.41(16) . . . . ?
C8 Fe C10 C9 -37.47(15) . . . . ?
C4 Fe C10 C9 85.17(17) . . . . ?
C1 Fe C10 C6 -45.0(6) . . . . ?
C7 Fe C10 C6 38.26(14) . . . . ?
C5 Fe C10 C6 169.95(18) . . . . ?
C2 Fe C10 C6 -72.81(17) . . . . ?
C9 Fe C10 C6 119.4(2) . . . . ?
C3 Fe C10 C6 -112.20(15) . . . . ?
C8 Fe C10 C6 81.92(15) . . . . ?
C4 Fe C10 C6 -155.44(15) . . . . ?
C6 P C12 C17 20.5(2) . . . . ?
C18 P C12 C17 132.29(19) . . . . ?
Ag P C12 C17 -100.81(18) . . . . ?
C6 P C12 C13 -164.94(18) . . . . ?
C18 P C12 C13 -53.2(2) . . . . ?
Ag P C12 C13 73.73(19) . . . . ?
C17 C12 C13 C14 0.5(3) . . . . ?
P C12 C13 C14 -174.20(18) . . . . ?
C12 C13 C14 C15 0.9(4) . . . . ?
C13 C14 C15 C16 -1.4(4) . . . . ?
C14 C15 C16 C17 0.5(4) . . . . ?
C15 C16 C17 C12 0.9(4) . . . . ?
C13 C12 C17 C16 -1.4(3) . . . . ?
P C12 C17 C16 173.20(18) . . . . ?
C6 P C18 C19 69.8(2) . . . . ?
C12 P C18 C19 -39.2(2) . . . . ?
Ag P C18 C19 -165.83(16) . . . . ?
C6 P C18 C23 -109.03(19) . . . . ?
C12 P C18 C23 141.91(18) . . . . ?
Ag P C18 C23 15.3(2) . . . . ?
C23 C18 C19 C20 1.7(3) . . . . ?
P C18 C19 C20 -177.19(18) . . . . ?
C18 C19 C20 C21 1.0(4) . . . . ?
C19 C20 C21 C22 -2.7(4) . . . . ?
C20 C21 C22 C23 1.8(4) . . . . ?
C21 C22 C23 C18 0.9(4) . . . . ?
C19 C18 C23 C22 -2.6(3) . . . . ?
P C18 C23 C22 176.29(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.430
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.082
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks182
_database_code_depnum_ccdc_archive 'CCDC 1470463'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H36 Ag2 B2 F8 Fe2 N2 P2'
_chemical_formula_sum            'C46 H36 Ag2 B2 F8 Fe2 N2 P2'
_chemical_formula_weight         1179.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.38550(10)
_cell_length_b                   11.1758(2)
_cell_length_c                   22.8296(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.1280(10)
_cell_angle_gamma                90.00
_cell_volume                     2122.93(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7874
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      27.51

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    1.727
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_T_max  0.7696

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            15408
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         27.49
_reflns_number_total             4871
_reflns_number_gt                4348
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0198P)²+1.6275P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4871
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0229
_refine_ls_wR_factor_ref         0.0530
_refine_ls_wR_factor_gt          0.0507
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag -0.089851(18) 0.272129(16) 0.033999(7) 0.02719(5) Uani 1 1 d . . .
N N 0.2373(2) 0.60089(16) 0.01638(7) 0.0263(4) Uani 1 1 d . . .
Fe Fe 0.38155(3) 0.34667(2) 0.137135(11) 0.01657(7) Uani 1 1 d . . .
B B 0.1111(3) 0.3140(2) -0.09932(10) 0.0245(5) Uani 1 1 d . . .
P P 0.04840(6) 0.16787(4) 0.11422(2) 0.01597(10) Uani 1 1 d . . .
F1 F 0.04825(19) 0.23349(15) -0.06128(7) 0.0502(4) Uani 1 1 d . . .
F2 F 0.02211(19) 0.30601(18) -0.15338(6) 0.0585(5) Uani 1 1 d . . .
F3 F 0.10350(19) 0.42759(15) -0.07789(10) 0.0705(6) Uani 1 1 d . . .
F4 F 0.27054(16) 0.28241(13) -0.10336(6) 0.0408(3) Uani 1 1 d . . .
C1 C 0.4207(2) 0.43391(17) 0.06245(8) 0.0183(4) Uani 1 1 d . . .
C2 C 0.4048(2) 0.30818(18) 0.05100(8) 0.0226(4) Uani 1 1 d . . .
H2 H 0.3268 0.2705 0.0233 0.027 Uiso 1 1 calc R . .
C3 C 0.5280(3) 0.2510(2) 0.08902(10) 0.0312(5) Uani 1 1 d . . .
H3 H 0.5470 0.1672 0.0913 0.037 Uiso 1 1 calc R . .
C4 C 0.6181(2) 0.3395(2) 0.12300(10) 0.0314(5) Uani 1 1 d . . .
H4 H 0.7080 0.3247 0.1517 0.038 Uiso 1 1 calc R . .
C5 C 0.5532(2) 0.4529(2) 0.10737(9) 0.0242(4) Uani 1 1 d . . .
H5 H 0.5902 0.5276 0.1235 0.029 Uiso 1 1 calc R . .
C6 C 0.1805(2) 0.26624(17) 0.15970(8) 0.0178(4) Uani 1 1 d . . .
C7 C 0.1625(2) 0.39419(18) 0.16047(8) 0.0217(4) Uani 1 1 d . . .
H7 H 0.0815 0.4393 0.1375 0.026 Uiso 1 1 calc R . .
C8 C 0.2875(3) 0.4410(2) 0.20181(9) 0.0273(4) Uani 1 1 d . . .
H8 H 0.3048 0.5232 0.2111 0.033 Uiso 1 1 calc R . .
C9 C 0.3821(3) 0.3442(2) 0.22697(8) 0.0272(5) Uani 1 1 d . . .
H9 H 0.4736 0.3506 0.2559 0.033 Uiso 1 1 calc R . .
C10 C 0.3166(2) 0.23640(18) 0.20156(8) 0.0213(4) Uani 1 1 d . . .
H10 H 0.3560 0.1580 0.2107 0.026 Uiso 1 1 calc R . .
C11 C 0.3173(2) 0.52546(18) 0.03668(8) 0.0198(4) Uani 1 1 d . . .
C12 C -0.0802(2) 0.10579(17) 0.16544(8) 0.0172(4) Uani 1 1 d . . .
C13 C -0.1685(2) 0.00234(18) 0.15036(8) 0.0221(4) Uani 1 1 d . . .
H13 H -0.1536 -0.0399 0.1153 0.027 Uiso 1 1 calc R . .
C14 C -0.2783(2) -0.0392(2) 0.18641(10) 0.0287(5) Uani 1 1 d . . .
H14 H -0.3372 -0.1104 0.1762 0.034 Uiso 1 1 calc R . .
C15 C -0.3022(3) 0.0228(2) 0.23722(10) 0.0312(5) Uani 1 1 d . . .
H15 H -0.3794 -0.0047 0.2612 0.037 Uiso 1 1 calc R . .
C16 C -0.2135(3) 0.1247(2) 0.25282(9) 0.0297(5) Uani 1 1 d . . .
H16 H -0.2288 0.1666 0.2879 0.036 Uiso 1 1 calc R . .
C17 C -0.1022(2) 0.16588(18) 0.21743(8) 0.0230(4) Uani 1 1 d . . .
H17 H -0.0407 0.2354 0.2286 0.028 Uiso 1 1 calc R . .
C18 C 0.1700(2) 0.04326(17) 0.09441(8) 0.0173(4) Uani 1 1 d . . .
C19 C 0.2314(2) -0.04191(18) 0.13566(9) 0.0233(4) Uani 1 1 d . . .
H19 H 0.2048 -0.0385 0.1749 0.028 Uiso 1 1 calc R . .
C20 C 0.3312(2) -0.13154(19) 0.11966(10) 0.0291(5) Uani 1 1 d . . .
H20 H 0.3712 -0.1904 0.1477 0.035 Uiso 1 1 calc R . .
C21 C 0.3731(2) -0.1358(2) 0.06282(10) 0.0301(5) Uani 1 1 d . . .
H21 H 0.4458 -0.1951 0.0525 0.036 Uiso 1 1 calc R . .
C22 C 0.3089(2) -0.0539(2) 0.02143(9) 0.0277(5) Uani 1 1 d . . .
H22 H 0.3350 -0.0585 -0.0178 0.033 Uiso 1 1 calc R . .
C23 C 0.2063(2) 0.03537(18) 0.03653(8) 0.0206(4) Uani 1 1 d . . .
H23 H 0.1611 0.0908 0.0076 0.025 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N 2.1243(17) 3_565 ?
Ag P 2.3514(5) . ?
N C11 1.140(3) . ?
N Ag 2.1243(17) 3_565 ?
Fe C1 2.0259(18) . ?
Fe C6 2.0322(18) . ?
Fe C10 2.0439(18) . ?
Fe C7 2.0453(18) . ?
Fe C5 2.046(2) . ?
Fe C2 2.0456(19) . ?
Fe C3 2.048(2) . ?
Fe C8 2.0502(19) . ?
Fe C9 2.0506(19) . ?
Fe C4 2.051(2) . ?
B F2 1.363(3) . ?
B F3 1.365(3) . ?
B F4 1.397(3) . ?
B F1 1.398(3) . ?
P C6 1.797(2) . ?
P C18 1.8160(19) . ?
P C12 1.8234(18) . ?
C1 C11 1.420(3) . ?
C1 C5 1.431(3) . ?
C1 C2 1.432(3) . ?
C2 C3 1.417(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.416(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.408(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.434(3) . ?
C6 C7 1.438(3) . ?
C7 C8 1.420(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.420(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.418(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C12 C13 1.393(3) . ?
C12 C17 1.396(3) . ?
C13 C14 1.389(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 C23 1.395(2) . ?
C19 C20 1.383(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Ag P 161.87(5) 3_565 . ?
C11 N Ag 171.20(17) . 3_565 ?
C1 Fe C6 130.71(7) . . ?
C1 Fe C10 168.89(8) . . ?
C6 Fe C10 41.18(8) . . ?
C1 Fe C7 109.79(8) . . ?
C6 Fe C7 41.31(8) . . ?
C10 Fe C7 68.96(8) . . ?
C1 Fe C5 41.17(8) . . ?
C6 Fe C5 168.73(8) . . ?
C10 Fe C5 148.23(8) . . ?
C7 Fe C5 128.87(8) . . ?
C1 Fe C2 41.19(8) . . ?
C6 Fe C2 109.36(8) . . ?
C10 Fe C2 129.09(8) . . ?
C7 Fe C2 120.05(8) . . ?
C5 Fe C2 69.38(8) . . ?
C1 Fe C3 68.25(8) . . ?
C6 Fe C3 118.45(9) . . ?
C10 Fe C3 107.59(8) . . ?
C7 Fe C3 153.27(9) . . ?
C5 Fe C3 68.36(9) . . ?
C2 Fe C3 40.50(9) . . ?
C1 Fe C8 118.40(8) . . ?
C6 Fe C8 68.87(8) . . ?
C10 Fe C8 68.35(8) . . ?
C7 Fe C8 40.58(8) . . ?
C5 Fe C8 106.88(9) . . ?
C2 Fe C8 153.06(9) . . ?
C3 Fe C8 164.77(9) . . ?
C1 Fe C9 150.19(8) . . ?
C6 Fe C9 68.88(8) . . ?
C10 Fe C9 40.54(8) . . ?
C7 Fe C9 68.51(8) . . ?
C5 Fe C9 115.18(8) . . ?
C2 Fe C9 165.92(9) . . ?
C3 Fe C9 127.04(9) . . ?
C8 Fe C9 40.53(9) . . ?
C1 Fe C4 68.02(8) . . ?
C6 Fe C4 150.64(9) . . ?
C10 Fe C4 116.04(8) . . ?
C7 Fe C4 165.67(9) . . ?
C5 Fe C4 40.20(9) . . ?
C2 Fe C4 68.35(9) . . ?
C3 Fe C4 40.43(10) . . ?
C8 Fe C4 126.86(9) . . ?
C9 Fe C4 105.94(9) . . ?
F2 B F3 109.9(2) . . ?
F2 B F4 110.14(18) . . ?
F3 B F4 110.24(19) . . ?
F2 B F1 108.32(19) . . ?
F3 B F1 109.8(2) . . ?
F4 B F1 108.41(18) . . ?
C6 P C18 106.74(8) . . ?
C6 P C12 103.51(8) . . ?
C18 P C12 105.25(9) . . ?
C6 P Ag 110.85(6) . . ?
C18 P Ag 115.07(6) . . ?
C12 P Ag 114.48(6) . . ?
C11 C1 C5 124.73(18) . . ?
C11 C1 C2 126.38(18) . . ?
C5 C1 C2 108.79(17) . . ?
C11 C1 Fe 122.76(13) . . ?
C5 C1 Fe 70.15(11) . . ?
C2 C1 Fe 70.14(10) . . ?
C3 C2 C1 106.67(19) . . ?
C3 C2 Fe 69.84(11) . . ?
C1 C2 Fe 68.67(10) . . ?
C3 C2 H2 126.7 . . ?
C1 C2 H2 126.7 . . ?
Fe C2 H2 126.4 . . ?
C4 C3 C2 108.63(19) . . ?
C4 C3 Fe 69.89(12) . . ?
C2 C3 Fe 69.66(11) . . ?
C4 C3 H3 125.7 . . ?
C2 C3 H3 125.7 . . ?
Fe C3 H3 126.3 . . ?
C5 C4 C3 109.07(18) . . ?
C5 C4 Fe 69.71(11) . . ?
C3 C4 Fe 69.69(12) . . ?
C5 C4 H4 125.5 . . ?
C3 C4 H4 125.5 . . ?
Fe C4 H4 126.7 . . ?
C4 C5 C1 106.85(19) . . ?
C4 C5 Fe 70.09(12) . . ?
C1 C5 Fe 68.68(11) . . ?
C4 C5 H5 126.6 . . ?
C1 C5 H5 126.6 . . ?
Fe C5 H5 126.2 . . ?
C10 C6 C7 107.42(17) . . ?
C10 C6 P 128.72(15) . . ?
C7 C6 P 123.85(14) . . ?
C10 C6 Fe 69.85(11) . . ?
C7 C6 Fe 69.84(11) . . ?
P C6 Fe 126.55(9) . . ?
C8 C7 C6 107.71(18) . . ?
C8 C7 Fe 69.89(11) . . ?
C6 C7 Fe 68.85(10) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe C7 H7 126.7 . . ?
C9 C8 C7 108.51(18) . . ?
C9 C8 Fe 69.75(11) . . ?
C7 C8 Fe 69.52(11) . . ?
C9 C8 H8 125.7 . . ?
C7 C8 H8 125.7 . . ?
Fe C8 H8 126.6 . . ?
C10 C9 C8 108.23(18) . . ?
C10 C9 Fe 69.48(11) . . ?
C8 C9 Fe 69.72(11) . . ?
C10 C9 H9 125.9 . . ?
C8 C9 H9 125.9 . . ?
Fe C9 H9 126.5 . . ?
C9 C10 C6 108.12(18) . . ?
C9 C10 Fe 69.98(11) . . ?
C6 C10 Fe 68.97(10) . . ?
C9 C10 H10 125.9 . . ?
C6 C10 H10 125.9 . . ?
Fe C10 H10 126.7 . . ?
N C11 C1 178.3(2) . . ?
C13 C12 C17 119.16(17) . . ?
C13 C12 P 119.72(14) . . ?
C17 C12 P 120.89(15) . . ?
C14 C13 C12 120.14(19) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C15 C14 C13 120.3(2) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 119.84(19) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.2(2) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C12 120.3(2) . . ?
C16 C17 H17 119.8 . . ?
C12 C17 H17 119.8 . . ?
C19 C18 C23 119.45(17) . . ?
C19 C18 P 121.86(14) . . ?
C23 C18 P 118.66(14) . . ?
C20 C19 C18 120.11(19) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.3(2) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 119.79(19) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.60(19) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C18 119.68(19) . . ?
C22 C23 H23 120.2 . . ?
C18 C23 H23 120.2 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.064
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks212
_database_code_depnum_ccdc_archive 'CCDC 1470464'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H52 Ag2 Fe2 N2 O4 P2, 2(Sb F6)'
_chemical_formula_sum            'C54 H52 Ag2 F12 Fe2 N2 O4 P2 Sb2'
_chemical_formula_weight         1653.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.4854(2)
_cell_length_b                   14.8856(5)
_cell_length_c                   23.0053(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.8590(10)
_cell_angle_gamma                90.00
_cell_volume                     2895.36(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6488
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      27.28

_exptl_crystal_description       bar
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    2.210
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.6303
_exptl_absorpt_correction_T_max  0.8788

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22910
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         27.50
_reflns_number_total             6638
_reflns_number_gt                5046
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0228P)²+4.3585P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6638
_refine_ls_number_parameters     358
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0709
_refine_ls_wR_factor_gt          0.0638
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.38384(3) 0.34029(2) 0.433550(12) 0.03175(9) Uani 1 1 d . . .
Fe Fe 0.81068(5) 0.44803(3) 0.35216(2) 0.01914(11) Uani 1 1 d . . .
P P 0.48854(10) 0.30686(6) 0.34430(4) 0.0197(2) Uani 1 1 d . . .
N N 0.7267(4) 0.5900(2) 0.49985(13) 0.0321(8) Uani 1 1 d . . .
C1 C 0.8798(4) 0.4885(3) 0.43455(14) 0.0229(8) Uani 1 1 d . . .
C2 C 0.8710(4) 0.3929(3) 0.43267(15) 0.0250(8) Uani 1 1 d . . .
H2 H 0.8061 0.3558 0.4543 0.030 Uiso 1 1 calc R . .
C3 C 0.9776(4) 0.3639(3) 0.39243(16) 0.0303(9) Uani 1 1 d . . .
H3 H 0.9965 0.3032 0.3822 0.036 Uiso 1 1 calc R . .
C4 C 1.0512(4) 0.4399(3) 0.36991(15) 0.0302(9) Uani 1 1 d . . .
H4 H 1.1281 0.4388 0.3422 0.036 Uiso 1 1 calc R . .
C5 C 0.9918(4) 0.5174(3) 0.39535(15) 0.0265(8) Uani 1 1 d . . .
H5 H 1.0207 0.5777 0.3879 0.032 Uiso 1 1 calc R . .
C6 C 0.6036(4) 0.3951(2) 0.31602(14) 0.0199(7) Uani 1 1 d . . .
C7 C 0.7230(4) 0.3894(3) 0.27609(14) 0.0256(8) Uani 1 1 d . . .
H7 H 0.7609 0.3357 0.2598 0.031 Uiso 1 1 calc R . .
C8 C 0.7752(4) 0.4778(3) 0.26509(15) 0.0319(9) Uani 1 1 d . . .
H8 H 0.8542 0.4937 0.2401 0.038 Uiso 1 1 calc R . .
C9 C 0.6894(4) 0.5383(3) 0.29776(16) 0.0309(9) Uani 1 1 d . . .
H9 H 0.7010 0.6018 0.2984 0.037 Uiso 1 1 calc R . .
C10 C 0.5831(4) 0.4882(2) 0.32936(15) 0.0237(8) Uani 1 1 d . . .
H10 H 0.5112 0.5121 0.3548 0.028 Uiso 1 1 calc R . .
C11 C 0.7928(4) 0.5452(3) 0.47023(14) 0.0251(8) Uani 1 1 d . . .
C12 C 0.3302(4) 0.2884(2) 0.28681(14) 0.0206(7) Uani 1 1 d . . .
C13 C 0.2034(4) 0.2338(3) 0.29910(17) 0.0306(9) Uani 1 1 d . . .
H13 H 0.2031 0.2052 0.3360 0.037 Uiso 1 1 calc R . .
C14 C 0.0779(4) 0.2214(3) 0.2573(2) 0.0429(11) Uani 1 1 d . . .
H14 H -0.0092 0.1851 0.2659 0.051 Uiso 1 1 calc R . .
C15 C 0.0784(5) 0.2611(3) 0.2036(2) 0.0477(13) Uani 1 1 d . . .
H15 H -0.0083 0.2526 0.1752 0.057 Uiso 1 1 calc R . .
C16 C 0.2042(5) 0.3132(3) 0.19087(18) 0.0452(12) Uani 1 1 d . . .
H16 H 0.2054 0.3394 0.1532 0.054 Uiso 1 1 calc R . .
C17 C 0.3302(5) 0.3281(3) 0.23252(16) 0.0323(9) Uani 1 1 d . . .
H17 H 0.4158 0.3654 0.2237 0.039 Uiso 1 1 calc R . .
C18 C 0.6107(4) 0.2066(2) 0.34369(15) 0.0218(7) Uani 1 1 d . . .
C19 C 0.6904(5) 0.1772(3) 0.39570(17) 0.0336(9) Uani 1 1 d . . .
H19 H 0.6787 0.2088 0.4309 0.040 Uiso 1 1 calc R . .
C20 C 0.7863(5) 0.1021(3) 0.3960(2) 0.0434(11) Uani 1 1 d . . .
H20 H 0.8405 0.0822 0.4315 0.052 Uiso 1 1 calc R . .
C21 C 0.8034(5) 0.0559(3) 0.3449(2) 0.0451(11) Uani 1 1 d . . .
H21 H 0.8702 0.0046 0.3453 0.054 Uiso 1 1 calc R . .
C22 C 0.7242(5) 0.0837(3) 0.29337(19) 0.0374(10) Uani 1 1 d . . .
H22 H 0.7354 0.0512 0.2584 0.045 Uiso 1 1 calc R . .
C23 C 0.6284(4) 0.1590(3) 0.29231(16) 0.0278(8) Uani 1 1 d . . .
H23 H 0.5746 0.1784 0.2566 0.033 Uiso 1 1 calc R . .
O1S O 0.2415(4) 0.1824(2) 0.43769(13) 0.0555(9) Uani 1 1 d . A .
C1S C 0.2004(5) 0.1333(3) 0.47559(19) 0.0487(12) Uani 1 1 d D . .
O2S O 0.1891(5) 0.0424(3) 0.4660(2) 0.0482(11) Uiso 0.70 1 d PD A 1
C2S C 0.1533(10) 0.1572(6) 0.5325(3) 0.060(2) Uiso 0.70 1 d P A 1
H2S1 H 0.1130 0.2189 0.5316 0.090 Uiso 0.70 1 calc PR A 1
H2S2 H 0.2448 0.1527 0.5614 0.090 Uiso 0.70 1 calc PR A 1
H2S3 H 0.0702 0.1161 0.5432 0.090 Uiso 0.70 1 calc PR A 1
C3S C 0.2319(11) 0.0030(6) 0.4113(3) 0.059(2) Uiso 0.70 1 d PD A 1
H3S1 H 0.1804 0.0376 0.3782 0.071 Uiso 0.70 1 calc PR A 1
H3S2 H 0.1920 -0.0594 0.4083 0.071 Uiso 0.70 1 calc PR A 1
C4S C 0.4044(11) 0.0028(7) 0.4074(4) 0.094(3) Uiso 0.70 1 d P A 1
H4S1 H 0.4430 0.0648 0.4067 0.141 Uiso 0.70 1 calc PR A 1
H4S2 H 0.4287 -0.0279 0.3715 0.141 Uiso 0.70 1 calc PR A 1
H4S3 H 0.4563 -0.0286 0.4412 0.141 Uiso 0.70 1 calc PR A 1
O2S1 O 0.2499(12) 0.0495(4) 0.4900(5) 0.0482(11) Uiso 0.30 1 d PD A 2
C2S1 C 0.110(2) 0.1848(12) 0.5182(7) 0.060(2) Uiso 0.30 1 d PD A 2
H2S4 H 0.1843 0.2200 0.5441 0.090 Uiso 0.30 1 calc PR A 2
H2S5 H 0.0529 0.1426 0.5415 0.090 Uiso 0.30 1 calc PR A 2
H2S6 H 0.0347 0.2252 0.4969 0.090 Uiso 0.30 1 calc PR A 2
C3S1 C 0.336(2) 0.0137(13) 0.4478(8) 0.059(2) Uiso 0.30 1 d P A 2
H3S3 H 0.3809 -0.0448 0.4615 0.071 Uiso 0.30 1 calc PR A 2
H3S4 H 0.4251 0.0543 0.4412 0.071 Uiso 0.30 1 calc PR A 2
C4S1 C 0.232(3) -0.0002(15) 0.3893(8) 0.059(5) Uiso 0.30 1 d P A 2
H4S4 H 0.1611 -0.0514 0.3931 0.089 Uiso 0.30 1 calc PR A 2
H4S5 H 0.3005 -0.0120 0.3579 0.089 Uiso 0.30 1 calc PR A 2
H4S6 H 0.1694 0.0540 0.3801 0.089 Uiso 0.30 1 calc PR A 2
Sb Sb 0.63399(3) 0.210883(19) 0.092609(10) 0.02897(8) Uani 1 1 d . B 2
F1 F 0.6518(4) 0.3060(2) 0.14437(13) 0.0761(9) Uani 1 1 d . B 2
F2 F 0.4315(3) 0.18530(17) 0.11368(11) 0.0472(6) Uani 1 1 d . B 2
F3 F 0.7222(3) 0.1358(2) 0.15164(12) 0.0653(8) Uani 1 1 d . B 2
F4 F 0.8370(3) 0.2349(2) 0.07156(11) 0.0694(9) Uani 1 1 d . B 2
F5 F 0.5478(4) 0.2820(3) 0.03210(13) 0.0866(11) Uani 1 1 d . B 2
F6 F 0.6241(3) 0.1145(2) 0.04122(15) 0.0889(12) Uani 1 1 d . B 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N 2.132(3) 3_666 ?
Ag P 2.3582(9) . ?
Fe C1 2.027(3) . ?
Fe C6 2.038(3) . ?
Fe C7 2.039(3) . ?
Fe C5 2.039(4) . ?
Fe C10 2.047(3) . ?
Fe C8 2.049(3) . ?
Fe C2 2.051(3) . ?
Fe C4 2.051(3) . ?
Fe C3 2.052(4) . ?
Fe C9 2.053(4) . ?
P C6 1.791(4) . ?
P C18 1.818(4) . ?
P C12 1.825(3) . ?
N C11 1.136(4) . ?
N Ag 2.132(3) 3_666 ?
C1 C2 1.425(5) . ?
C1 C11 1.426(5) . ?
C1 C5 1.431(5) . ?
C2 C3 1.415(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.412(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.407(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.427(4) . ?
C6 C10 1.433(5) . ?
C7 C8 1.419(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.414(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.417(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C12 C17 1.382(5) . ?
C12 C13 1.397(5) . ?
C13 C14 1.386(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.369(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.371(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.392(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.394(5) . ?
C18 C23 1.397(5) . ?
C19 C20 1.383(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.380(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.377(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
O1S C1S 1.211(5) . ?
C1S O2S1 1.349(3) . ?
C1S O2S 1.372(3) . ?
C1S C2S 1.446(8) . ?
C1S C2S1 1.504(3) . ?
O2S C3S 1.462(3) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C3S C4S 1.475(13) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 0.9800 . ?
O2S1 C3S1 1.370(19) . ?
C2S1 H2S4 0.9800 . ?
C2S1 H2S5 0.9800 . ?
C2S1 H2S6 0.9800 . ?
C3S1 C4S1 1.56(3) . ?
C3S1 H3S3 0.9900 . ?
C3S1 H3S4 0.9900 . ?
C4S1 H4S4 0.9800 . ?
C4S1 H4S5 0.9800 . ?
C4S1 H4S6 0.9800 . ?
Sb F1 1.848(3) . ?
Sb F5 1.849(3) . ?
Sb F6 1.857(3) . ?
Sb F4 1.863(2) . ?
Sb F2 1.863(2) . ?
Sb F3 1.866(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Ag P 161.68(10) 3_666 . ?
C1 Fe C6 131.87(13) . . ?
C1 Fe C7 170.09(15) . . ?
C6 Fe C7 40.96(13) . . ?
C1 Fe C5 41.21(13) . . ?
C6 Fe C5 169.43(14) . . ?
C7 Fe C5 147.17(14) . . ?
C1 Fe C10 110.17(14) . . ?
C6 Fe C10 41.08(14) . . ?
C7 Fe C10 68.74(14) . . ?
C5 Fe C10 129.25(15) . . ?
C1 Fe C8 148.94(16) . . ?
C6 Fe C8 68.55(14) . . ?
C7 Fe C8 40.62(15) . . ?
C5 Fe C8 114.14(15) . . ?
C10 Fe C8 68.21(15) . . ?
C1 Fe C2 40.90(14) . . ?
C6 Fe C2 110.77(14) . . ?
C7 Fe C2 130.45(15) . . ?
C5 Fe C2 69.05(15) . . ?
C10 Fe C2 120.42(14) . . ?
C8 Fe C2 167.02(16) . . ?
C1 Fe C4 68.11(14) . . ?
C6 Fe C4 150.19(15) . . ?
C7 Fe C4 115.48(14) . . ?
C5 Fe C4 40.23(15) . . ?
C10 Fe C4 165.83(16) . . ?
C8 Fe C4 105.60(15) . . ?
C2 Fe C4 68.19(14) . . ?
C1 Fe C3 67.99(15) . . ?
C6 Fe C3 119.13(15) . . ?
C7 Fe C3 108.29(15) . . ?
C5 Fe C3 68.05(16) . . ?
C10 Fe C3 153.40(15) . . ?
C8 Fe C3 127.75(16) . . ?
C2 Fe C3 40.37(14) . . ?
C4 Fe C3 40.25(15) . . ?
C1 Fe C9 117.77(16) . . ?
C6 Fe C9 68.52(15) . . ?
C7 Fe C9 68.26(16) . . ?
C5 Fe C9 106.48(16) . . ?
C10 Fe C9 40.45(14) . . ?
C8 Fe C9 40.33(16) . . ?
C2 Fe C9 152.44(15) . . ?
C4 Fe C9 126.81(16) . . ?
C3 Fe C9 165.04(15) . . ?
C6 P C18 105.69(15) . . ?
C6 P C12 103.75(15) . . ?
C18 P C12 104.83(16) . . ?
C6 P Ag 114.74(11) . . ?
C18 P Ag 115.92(11) . . ?
C12 P Ag 110.76(11) . . ?
C11 N Ag 170.7(3) . 3_666 ?
C2 C1 C11 125.5(3) . . ?
C2 C1 C5 108.5(3) . . ?
C11 C1 C5 126.0(4) . . ?
C2 C1 Fe 70.4(2) . . ?
C11 C1 Fe 126.2(2) . . ?
C5 C1 Fe 69.85(19) . . ?
C3 C2 C1 106.8(3) . . ?
C3 C2 Fe 69.9(2) . . ?
C1 C2 Fe 68.7(2) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
Fe C2 H2 126.4 . . ?
C4 C3 C2 108.8(3) . . ?
C4 C3 Fe 69.8(2) . . ?
C2 C3 Fe 69.8(2) . . ?
C4 C3 H3 125.6 . . ?
C2 C3 H3 125.6 . . ?
Fe C3 H3 126.4 . . ?
C5 C4 C3 108.6(3) . . ?
C5 C4 Fe 69.44(19) . . ?
C3 C4 Fe 69.9(2) . . ?
C5 C4 H4 125.7 . . ?
C3 C4 H4 125.7 . . ?
Fe C4 H4 126.5 . . ?
C4 C5 C1 107.2(3) . . ?
C4 C5 Fe 70.3(2) . . ?
C1 C5 Fe 68.95(19) . . ?
C4 C5 H5 126.4 . . ?
C1 C5 H5 126.4 . . ?
Fe C5 H5 125.9 . . ?
C7 C6 C10 107.5(3) . . ?
C7 C6 P 128.9(3) . . ?
C10 C6 P 123.5(2) . . ?
C7 C6 Fe 69.57(19) . . ?
C10 C6 Fe 69.80(19) . . ?
P C6 Fe 127.79(18) . . ?
C8 C7 C6 108.0(3) . . ?
C8 C7 Fe 70.1(2) . . ?
C6 C7 Fe 69.47(19) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
Fe C7 H7 126.0 . . ?
C9 C8 C7 108.3(3) . . ?
C9 C8 Fe 70.0(2) . . ?
C7 C8 Fe 69.3(2) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Fe C8 H8 126.4 . . ?
C8 C9 C10 108.4(4) . . ?
C8 C9 Fe 69.7(2) . . ?
C10 C9 Fe 69.5(2) . . ?
C8 C9 H9 125.8 . . ?
C10 C9 H9 125.8 . . ?
Fe C9 H9 126.6 . . ?
C9 C10 C6 107.8(3) . . ?
C9 C10 Fe 70.0(2) . . ?
C6 C10 Fe 69.13(19) . . ?
C9 C10 H10 126.1 . . ?
C6 C10 H10 126.1 . . ?
Fe C10 H10 126.3 . . ?
N C11 C1 178.1(4) . . ?
C17 C12 C13 119.4(3) . . ?
C17 C12 P 122.3(3) . . ?
C13 C12 P 118.3(3) . . ?
C14 C13 C12 119.8(4) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 120.6(4) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.9(4) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.6(4) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C12 C17 C16 119.7(4) . . ?
C12 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C23 119.2(3) . . ?
C19 C18 P 119.1(3) . . ?
C23 C18 P 121.7(3) . . ?
C20 C19 C18 120.1(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.2(4) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 120.1(4) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C18 120.0(4) . . ?
C22 C23 H23 120.0 . . ?
C18 C23 H23 120.0 . . ?
O1S C1S O2S 120.0(4) . . ?
O1S C1S C2S 128.5(5) . . ?
O2S C1S C2S 111.5(5) . . ?
C1S O2S C3S 121.0(5) . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
O2S C3S C4S 112.0(7) . . ?
O2S C3S H3S1 109.2 . . ?
C4S C3S H3S1 109.2 . . ?
O2S C3S H3S2 109.2 . . ?
C4S C3S H3S2 109.2 . . ?
H3S1 C3S H3S2 107.9 . . ?
H2S4 C2S1 H2S5 109.5 . . ?
H2S4 C2S1 H2S6 109.5 . . ?
H2S5 C2S1 H2S6 109.5 . . ?
O2S1 C3S1 C4S1 111.4(16) . . ?
O2S1 C3S1 H3S3 109.3 . . ?
C4S1 C3S1 H3S3 109.3 . . ?
O2S1 C3S1 H3S4 109.3 . . ?
C4S1 C3S1 H3S4 109.3 . . ?
H3S3 C3S1 H3S4 108.0 . . ?
C3S1 C4S1 H4S4 109.5 . . ?
C3S1 C4S1 H4S5 109.5 . . ?
H4S4 C4S1 H4S5 109.5 . . ?
C3S1 C4S1 H4S6 109.5 . . ?
H4S4 C4S1 H4S6 109.5 . . ?
H4S5 C4S1 H4S6 109.5 . . ?
F1 Sb F5 93.01(16) . . ?
F1 Sb F6 177.85(14) . . ?
F5 Sb F6 88.24(18) . . ?
F1 Sb F4 89.61(14) . . ?
F5 Sb F4 90.55(14) . . ?
F6 Sb F4 88.62(13) . . ?
F1 Sb F2 90.91(13) . . ?
F5 Sb F2 89.90(13) . . ?
F6 Sb F2 90.84(12) . . ?
F4 Sb F2 179.29(14) . . ?
F1 Sb F3 89.10(15) . . ?
F5 Sb F3 177.83(16) . . ?
F6 Sb F3 89.64(16) . . ?
F4 Sb F3 88.95(12) . . ?
F2 Sb F3 90.58(11) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.107

# start Validation Reply Form


_vrf_PLAT201_ks212               
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......  4      
RESPONSE: The disordered ethyl acetate was refined isotropically.
;

_vrf_PLAT220_ks212               
;
PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.7 Ratio
RESPONSE: The largest displacement parameters are rather expectedly
 found in the partly disordered, O-coordinated ethyl acetate molecule.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks401
_database_code_depnum_ccdc_archive 'CCDC 1470465'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H36 Ag2 Fe2 N2 P2, 2(C32 H12 B F24)'
_chemical_formula_sum            'C110 H60 Ag2 B2 F48 Fe2 N2 P2'
_chemical_formula_weight         2732.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0872(3)
_cell_length_b                   14.0822(3)
_cell_length_c                   17.7896(4)
_cell_angle_alpha                69.1784(7)
_cell_angle_beta                 72.1205(7)
_cell_angle_gamma                83.0402(7)
_cell_volume                     2693.35(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9915
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.52

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1352
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_T_max  0.878

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41341
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         27.50
_reflns_number_total             12377
_reflns_number_gt                10921
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Instrument Service v2014.11.0.1'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0498P)²+3.1521P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12377
_refine_ls_number_parameters     757
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0364
_refine_ls_wR_factor_ref         0.0988
_refine_ls_wR_factor_gt          0.0944
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.669445(15) 0.015876(13) 0.353250(11) 0.02617(6) Uani 1 1 d . . .
Fe Fe 0.62234(3) 0.33020(2) 0.352474(19) 0.02198(8) Uani 1 1 d . . .
P P 0.77297(5) 0.16149(4) 0.25637(3) 0.01907(11) Uani 1 1 d . . .
N N 0.40878(19) 0.11206(16) 0.54386(14) 0.0332(5) Uani 1 1 d . . .
C1 C 0.4600(2) 0.27814(18) 0.41980(15) 0.0288(5) Uani 1 1 d . . .
C2 C 0.4731(2) 0.37626(19) 0.42315(17) 0.0363(6) Uani 1 1 d . . .
H2 H 0.4657 0.3923 0.4720 0.044 Uiso 1 1 calc R . .
C3 C 0.4991(2) 0.44475(19) 0.33940(18) 0.0403(7) Uani 1 1 d . . .
H3 H 0.5118 0.5155 0.3225 0.048 Uiso 1 1 calc R . .
C4 C 0.5031(2) 0.3908(2) 0.28534(17) 0.0381(6) Uani 1 1 d . . .
H4 H 0.5193 0.4191 0.2261 0.046 Uiso 1 1 calc R . .
C5 C 0.4790(2) 0.2874(2) 0.33396(16) 0.0317(5) Uani 1 1 d . . .
H5 H 0.4760 0.2343 0.3135 0.038 Uiso 1 1 calc R . .
C6 C 0.76600(19) 0.25352(17) 0.30637(14) 0.0217(4) Uani 1 1 d . . .
C7 C 0.7452(2) 0.22944(19) 0.39467(15) 0.0281(5) Uani 1 1 d . . .
H7 H 0.7312 0.1637 0.4359 0.034 Uiso 1 1 calc R . .
C8 C 0.7491(2) 0.3210(2) 0.40982(17) 0.0355(6) Uani 1 1 d . . .
H8 H 0.7380 0.3270 0.4632 0.043 Uiso 1 1 calc R . .
C9 C 0.7724(2) 0.4018(2) 0.33237(17) 0.0340(6) Uani 1 1 d . . .
H9 H 0.7797 0.4712 0.3248 0.041 Uiso 1 1 calc R . .
C10 C 0.7828(2) 0.36135(18) 0.26788(15) 0.0258(5) Uani 1 1 d . . .
H10 H 0.7982 0.3989 0.2097 0.031 Uiso 1 1 calc R . .
C11 C 0.4325(2) 0.18565(19) 0.48912(15) 0.0294(5) Uani 1 1 d . . .
C12 C 0.92640(19) 0.13399(16) 0.21974(13) 0.0209(4) Uani 1 1 d . . .
C13 C 1.0120(2) 0.19898(18) 0.20982(15) 0.0279(5) Uani 1 1 d . . .
H13 H 0.9908 0.2574 0.2263 0.033 Uiso 1 1 calc R . .
C14 C 1.1282(2) 0.1785(2) 0.17585(16) 0.0327(5) Uani 1 1 d . . .
H14 H 1.1864 0.2233 0.1685 0.039 Uiso 1 1 calc R . .
C15 C 1.1592(2) 0.0929(2) 0.15261(15) 0.0317(5) Uani 1 1 d . . .
H15 H 1.2387 0.0793 0.1288 0.038 Uiso 1 1 calc R . .
C16 C 1.0751(2) 0.02739(19) 0.16393(15) 0.0306(5) Uani 1 1 d . . .
H16 H 1.0970 -0.0317 0.1485 0.037 Uiso 1 1 calc R . .
C17 C 0.9586(2) 0.04702(17) 0.19761(14) 0.0258(5) Uani 1 1 d . . .
H17 H 0.9010 0.0013 0.2055 0.031 Uiso 1 1 calc R . .
C18 C 0.7302(2) 0.23085(17) 0.16176(13) 0.0224(4) Uani 1 1 d . . .
C19 C 0.6212(2) 0.2155(2) 0.15788(16) 0.0316(5) Uani 1 1 d . . .
H19 H 0.5720 0.1652 0.2028 0.038 Uiso 1 1 calc R . .
C20 C 0.5838(3) 0.2736(2) 0.08845(18) 0.0416(6) Uani 1 1 d . . .
H20 H 0.5088 0.2633 0.0862 0.050 Uiso 1 1 calc R . .
C21 C 0.6554(3) 0.3463(2) 0.02290(17) 0.0397(6) Uani 1 1 d . . .
H21 H 0.6288 0.3871 -0.0238 0.048 Uiso 1 1 calc R . .
C22 C 0.7650(3) 0.3600(2) 0.02499(16) 0.0361(6) Uani 1 1 d . . .
H22 H 0.8147 0.4089 -0.0210 0.043 Uiso 1 1 calc R . .
C23 C 0.8035(2) 0.30270(18) 0.09405(15) 0.0281(5) Uani 1 1 d . . .
H23 H 0.8794 0.3123 0.0952 0.034 Uiso 1 1 calc R . .
B B 0.29117(19) 0.74937(17) 0.23560(14) 0.0161(4) Uani 1 1 d . . .
C31 C 0.23920(18) 0.82663(15) 0.28914(12) 0.0172(4) Uani 1 1 d . . .
C32 C 0.12160(18) 0.82306(16) 0.33605(13) 0.0199(4) Uani 1 1 d . . .
H32 H 0.0739 0.7718 0.3397 0.024 Uiso 1 1 calc R . .
C33 C 0.07285(19) 0.89221(17) 0.37723(13) 0.0219(4) Uani 1 1 d . . .
C34 C 0.1394(2) 0.96670(17) 0.37571(14) 0.0251(5) Uani 1 1 d . . .
H34 H 0.1066 1.0126 0.4052 0.030 Uiso 1 1 calc R . .
C35 C 0.2553(2) 0.97189(17) 0.32969(15) 0.0245(4) Uani 1 1 d . . .
C36 C 0.30326(19) 0.90508(16) 0.28576(13) 0.0209(4) Uani 1 1 d . . .
H36 H 0.3820 0.9131 0.2525 0.025 Uiso 1 1 calc R . .
C37 C -0.0533(2) 0.88496(19) 0.42618(16) 0.0308(5) Uani 1 1 d . . .
C38 C 0.3301(2) 1.0518(2) 0.3251(2) 0.0380(6) Uani 1 1 d . . .
F31 F -0.11984(13) 0.85543(14) 0.39062(12) 0.0473(4) Uani 1 1 d . . .
F32 F -0.07200(16) 0.81948(15) 0.50384(11) 0.0570(5) Uani 1 1 d . . .
F33 F -0.09895(14) 0.97437(12) 0.43332(11) 0.0435(4) Uani 1 1 d . . .
F34 F 0.2821(2) 1.1019(2) 0.3763(2) 0.1061(12) Uani 1 1 d . . .
F35 F 0.4334(2) 1.01702(16) 0.3333(2) 0.0813(8) Uani 1 1 d . . .
F36 F 0.35767(19) 1.12519(16) 0.24948(16) 0.0697(6) Uani 1 1 d . . .
C41 C 0.43260(18) 0.73279(15) 0.21425(12) 0.0174(4) Uani 1 1 d . . .
C42 C 0.49958(19) 0.74030(16) 0.26356(13) 0.0202(4) Uani 1 1 d . . .
H42 H 0.4628 0.7619 0.3104 0.024 Uiso 1 1 calc R . .
C43 C 0.61814(18) 0.71730(16) 0.24653(13) 0.0200(4) Uani 1 1 d . . .
C44 C 0.67524(19) 0.68235(16) 0.18046(13) 0.0218(4) Uani 1 1 d . . .
H44 H 0.7560 0.6664 0.1688 0.026 Uiso 1 1 calc R . .
C45 C 0.60994(19) 0.67160(16) 0.13219(13) 0.0219(4) Uani 1 1 d . . .
C46 C 0.49233(18) 0.69730(16) 0.14802(13) 0.0198(4) Uani 1 1 d . . .
H46 H 0.4509 0.6906 0.1127 0.024 Uiso 1 1 calc R . .
C47 C 0.6846(2) 0.73287(19) 0.29948(14) 0.0273(5) Uani 1 1 d . . .
C48 C 0.6662(2) 0.6332(2) 0.06064(16) 0.0321(5) Uani 1 1 d U . .
F41 F 0.62477(14) 0.70020(13) 0.38147(9) 0.0393(4) Uani 1 1 d . . .
F42 F 0.78703(13) 0.68331(13) 0.29263(9) 0.0393(4) Uani 1 1 d . . .
F43 F 0.70702(16) 0.83075(12) 0.28121(11) 0.0434(4) Uani 1 1 d . . .
F44 F 0.77080(19) 0.5987(3) 0.05731(19) 0.1061(12) Uani 1 1 d . . .
F45 F 0.6048(2) 0.56054(19) 0.06105(16) 0.0763(7) Uani 1 1 d . . .
F46 F 0.6673(2) 0.7027(2) -0.01272(12) 0.0822(8) Uani 1 1 d U . .
C51 C 0.25141(18) 0.79856(15) 0.14944(12) 0.0167(4) Uani 1 1 d . . .
C52 C 0.31898(18) 0.87064(15) 0.07778(13) 0.0185(4) Uani 1 1 d . . .
H52 H 0.3919 0.8886 0.0784 0.022 Uiso 1 1 calc R . .
C53 C 0.28282(19) 0.91688(16) 0.00563(13) 0.0208(4) Uani 1 1 d . . .
C55 C 0.10773(18) 0.82380(17) 0.07268(13) 0.0215(4) Uani 1 1 d . . .
C54 C 0.17615(19) 0.89378(17) 0.00237(13) 0.0221(4) Uani 1 1 d . . .
H54 H 0.1512 0.9251 -0.0466 0.026 Uiso 1 1 calc R . .
C56 C 0.14387(18) 0.77713(16) 0.14470(13) 0.0186(4) Uani 1 1 d . . .
H56 H 0.0943 0.7295 0.1919 0.022 Uiso 1 1 calc R . .
C57 C 0.3594(2) 0.99428(19) -0.06737(15) 0.0308(5) Uani 1 1 d . . .
C58 C -0.0098(2) 0.7984(2) 0.07386(15) 0.0304(5) Uani 1 1 d . . .
F51 F 0.36116(19) 1.08079(13) -0.05336(12) 0.0577(5) Uani 1 1 d . . .
F52 F 0.47067(14) 0.96291(14) -0.08587(10) 0.0482(4) Uani 1 1 d . . .
F53 F 0.32840(17) 1.01762(15) -0.13781(10) 0.0524(5) Uani 1 1 d . . .
F54 F -0.02504(17) 0.8258(2) -0.00152(11) 0.0686(7) Uani 1 1 d . . .
F55 F -0.03055(14) 0.69864(13) 0.10910(13) 0.0492(4) Uani 1 1 d . . .
F56 F -0.09554(14) 0.84177(15) 0.11954(13) 0.0514(5) Uani 1 1 d . . .
C61 C 0.24227(17) 0.63423(15) 0.28901(12) 0.0170(4) Uani 1 1 d . . .
C62 C 0.23048(19) 0.56659(16) 0.25021(13) 0.0212(4) Uani 1 1 d . . .
H62 H 0.2443 0.5902 0.1911 0.025 Uiso 1 1 calc R . .
C63 C 0.1991(2) 0.46577(17) 0.29583(15) 0.0250(5) Uani 1 1 d . . .
C64 C 0.1788(2) 0.42760(17) 0.38210(15) 0.0268(5) Uani 1 1 d . . .
H64 H 0.1569 0.3590 0.4132 0.032 Uiso 1 1 calc R . .
C65 C 0.1914(2) 0.49300(17) 0.42143(14) 0.0241(4) Uani 1 1 d . . .
C66 C 0.22174(18) 0.59344(16) 0.37607(13) 0.0202(4) Uani 1 1 d . . .
H66 H 0.2289 0.6363 0.4052 0.024 Uiso 1 1 calc R . .
C67 C 0.1858(3) 0.3987(2) 0.25013(18) 0.0404(6) Uani 1 1 d . . .
C68 C 0.1716(3) 0.4567(2) 0.51443(16) 0.0371(6) Uani 1 1 d . . .
F61 F 0.2817(3) 0.3899(3) 0.1935(2) 0.1246(14) Uani 1 1 d . . .
F62 F 0.1556(4) 0.30731(16) 0.29732(16) 0.1143(13) Uani 1 1 d . . .
F63 F 0.1118(3) 0.4338(2) 0.2070(2) 0.1136(13) Uani 1 1 d . . .
F64 F 0.1584(3) 0.35827(17) 0.54957(13) 0.1060(12) Uani 1 1 d U . .
F65 F 0.26126(14) 0.47787(12) 0.53513(9) 0.0373(3) Uani 1 1 d . . .
F66 F 0.08248(17) 0.5049(2) 0.55260(11) 0.0814(8) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N 2.120(2) 2_656 ?
Ag P 2.3507(6) . ?
Fe C1 2.026(2) . ?
Fe C6 2.038(2) . ?
Fe C2 2.040(2) . ?
Fe C10 2.040(2) . ?
Fe C7 2.049(2) . ?
Fe C5 2.054(3) . ?
Fe C9 2.054(3) . ?
Fe C8 2.055(3) . ?
Fe C3 2.059(3) . ?
Fe C4 2.066(3) . ?
P C6 1.796(2) . ?
P C12 1.810(2) . ?
P C18 1.816(2) . ?
N C11 1.135(3) . ?
N Ag 2.120(2) 2_656 ?
C1 C11 1.428(3) . ?
C1 C5 1.432(4) . ?
C1 C2 1.434(4) . ?
C2 C3 1.419(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.410(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.416(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.430(3) . ?
C6 C10 1.437(3) . ?
C7 C8 1.416(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.413(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.419(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C12 C17 1.393(3) . ?
C12 C13 1.394(3) . ?
C13 C14 1.387(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.386(3) . ?
C18 C23 1.398(3) . ?
C19 C20 1.391(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.379(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.375(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
B C61 1.635(3) . ?
B C51 1.636(3) . ?
B C41 1.640(3) . ?
B C31 1.640(3) . ?
C31 C36 1.398(3) . ?
C31 C32 1.407(3) . ?
C32 C33 1.391(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(3) . ?
C33 C37 1.501(3) . ?
C34 C35 1.384(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.395(3) . ?
C35 C38 1.492(3) . ?
C36 H36 0.9500 . ?
C37 F32 1.328(3) . ?
C37 F31 1.342(3) . ?
C37 F33 1.345(3) . ?
C38 F34 1.304(3) . ?
C38 F35 1.316(3) . ?
C38 F36 1.345(4) . ?
C41 C42 1.400(3) . ?
C41 C46 1.403(3) . ?
C42 C43 1.393(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.390(3) . ?
C43 C47 1.495(3) . ?
C44 C45 1.386(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(3) . ?
C45 C48 1.498(3) . ?
C46 H46 0.9500 . ?
C47 F42 1.339(3) . ?
C47 F43 1.341(3) . ?
C47 F41 1.348(3) . ?
C48 F44 1.290(3) . ?
C48 F46 1.321(3) . ?
C48 F45 1.332(3) . ?
C51 C52 1.401(3) . ?
C51 C56 1.403(3) . ?
C52 C53 1.394(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.390(3) . ?
C53 C57 1.494(3) . ?
C55 C54 1.380(3) . ?
C55 C56 1.393(3) . ?
C55 C58 1.498(3) . ?
C54 H54 0.9500 . ?
C56 H56 0.9500 . ?
C57 F51 1.331(3) . ?
C57 F53 1.336(3) . ?
C57 F52 1.342(3) . ?
C58 F54 1.322(3) . ?
C58 F55 1.338(3) . ?
C58 F56 1.338(3) . ?
C61 C66 1.399(3) . ?
C61 C62 1.402(3) . ?
C62 C63 1.393(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.385(3) . ?
C63 C67 1.498(3) . ?
C64 C65 1.385(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.385(3) . ?
C65 C68 1.497(3) . ?
C66 H66 0.9500 . ?
C67 F62 1.285(3) . ?
C67 F63 1.296(4) . ?
C67 F61 1.307(4) . ?
C68 F64 1.310(3) . ?
C68 F66 1.335(4) . ?
C68 F65 1.342(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Ag P 169.37(7) 2_656 . ?
C1 Fe C6 129.18(9) . . ?
C1 Fe C2 41.30(10) . . ?
C6 Fe C2 166.30(10) . . ?
C1 Fe C10 165.82(10) . . ?
C6 Fe C10 41.27(9) . . ?
C2 Fe C10 150.41(10) . . ?
C1 Fe C7 110.81(10) . . ?
C6 Fe C7 40.96(9) . . ?
C2 Fe C7 127.30(11) . . ?
C10 Fe C7 68.83(10) . . ?
C1 Fe C5 41.10(10) . . ?
C6 Fe C5 109.90(10) . . ?
C2 Fe C5 69.23(12) . . ?
C10 Fe C5 126.41(10) . . ?
C7 Fe C5 123.45(10) . . ?
C1 Fe C9 153.42(10) . . ?
C6 Fe C9 68.65(9) . . ?
C2 Fe C9 116.65(11) . . ?
C10 Fe C9 40.56(9) . . ?
C7 Fe C9 68.13(11) . . ?
C5 Fe C9 161.87(11) . . ?
C1 Fe C8 121.38(11) . . ?
C6 Fe C8 68.42(9) . . ?
C2 Fe C8 106.84(12) . . ?
C10 Fe C8 68.18(10) . . ?
C7 Fe C8 40.37(10) . . ?
C5 Fe C8 157.46(11) . . ?
C9 Fe C8 40.23(11) . . ?
C1 Fe C3 68.18(10) . . ?
C6 Fe C3 152.83(10) . . ?
C2 Fe C3 40.50(11) . . ?
C10 Fe C3 116.60(10) . . ?
C7 Fe C3 162.83(12) . . ?
C5 Fe C3 67.90(12) . . ?
C9 Fe C3 104.71(11) . . ?
C8 Fe C3 124.34(12) . . ?
C1 Fe C4 68.08(10) . . ?
C6 Fe C4 120.55(10) . . ?
C2 Fe C4 68.22(12) . . ?
C10 Fe C4 106.37(10) . . ?
C7 Fe C4 156.88(11) . . ?
C5 Fe C4 40.20(10) . . ?
C9 Fe C4 123.77(11) . . ?
C8 Fe C4 160.69(12) . . ?
C3 Fe C4 39.98(13) . . ?
C6 P C12 105.01(10) . . ?
C6 P C18 104.98(10) . . ?
C12 P C18 104.91(10) . . ?
C6 P Ag 109.88(7) . . ?
C12 P Ag 111.83(7) . . ?
C18 P Ag 119.14(8) . . ?
C11 N Ag 168.8(2) . 2_656 ?
C11 C1 C5 124.7(2) . . ?
C11 C1 C2 126.8(2) . . ?
C5 C1 C2 108.5(2) . . ?
C11 C1 Fe 125.53(18) . . ?
C5 C1 Fe 70.49(13) . . ?
C2 C1 Fe 69.86(14) . . ?
C3 C2 C1 106.8(2) . . ?
C3 C2 Fe 70.47(14) . . ?
C1 C2 Fe 68.85(13) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
Fe C2 H2 125.6 . . ?
C4 C3 C2 108.9(2) . . ?
C4 C3 Fe 70.27(15) . . ?
C2 C3 Fe 69.02(14) . . ?
C4 C3 H3 125.5 . . ?
C2 C3 H3 125.5 . . ?
Fe C3 H3 126.8 . . ?
C3 C4 C5 108.7(2) . . ?
C3 C4 Fe 69.75(16) . . ?
C5 C4 Fe 69.46(15) . . ?
C3 C4 H4 125.6 . . ?
C5 C4 H4 125.6 . . ?
Fe C4 H4 126.7 . . ?
C4 C5 C1 107.1(2) . . ?
C4 C5 Fe 70.34(16) . . ?
C1 C5 Fe 68.41(14) . . ?
C4 C5 H5 126.5 . . ?
C1 C5 H5 126.5 . . ?
Fe C5 H5 126.3 . . ?
C7 C6 C10 107.41(19) . . ?
C7 C6 P 124.38(17) . . ?
C10 C6 P 128.19(17) . . ?
C7 C6 Fe 69.92(13) . . ?
C10 C6 Fe 69.45(12) . . ?
P C6 Fe 127.25(12) . . ?
C8 C7 C6 107.9(2) . . ?
C8 C7 Fe 70.04(15) . . ?
C6 C7 Fe 69.12(13) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe C7 H7 126.4 . . ?
C9 C8 C7 108.6(2) . . ?
C9 C8 Fe 69.85(16) . . ?
C7 C8 Fe 69.58(14) . . ?
C9 C8 H8 125.7 . . ?
C7 C8 H8 125.7 . . ?
Fe C8 H8 126.5 . . ?
C8 C9 C10 108.3(2) . . ?
C8 C9 Fe 69.92(15) . . ?
C10 C9 Fe 69.20(14) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 H9 125.9 . . ?
Fe C9 H9 126.6 . . ?
C9 C10 C6 107.8(2) . . ?
C9 C10 Fe 70.24(14) . . ?
C6 C10 Fe 69.28(12) . . ?
C9 C10 H10 126.1 . . ?
C6 C10 H10 126.1 . . ?
Fe C10 H10 125.9 . . ?
N C11 C1 178.7(3) . . ?
C17 C12 C13 119.5(2) . . ?
C17 C12 P 118.28(18) . . ?
C13 C12 P 122.14(17) . . ?
C14 C13 C12 120.1(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 120.0(2) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.1(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.5(2) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C12 119.7(2) . . ?
C16 C17 H17 120.1 . . ?
C12 C17 H17 120.1 . . ?
C19 C18 C23 119.4(2) . . ?
C19 C18 P 119.53(18) . . ?
C23 C18 P 121.02(18) . . ?
C18 C19 C20 120.2(2) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C18 119.7(2) . . ?
C22 C23 H23 120.1 . . ?
C18 C23 H23 120.1 . . ?
C61 B C51 111.85(16) . . ?
C61 B C41 103.02(16) . . ?
C51 B C41 110.94(16) . . ?
C61 B C31 111.44(16) . . ?
C51 B C31 105.64(16) . . ?
C41 B C31 114.13(17) . . ?
C36 C31 C32 115.55(19) . . ?
C36 C31 B 123.48(18) . . ?
C32 C31 B 120.72(18) . . ?
C33 C32 C31 122.1(2) . . ?
C33 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
C34 C33 C32 121.2(2) . . ?
C34 C33 C37 119.0(2) . . ?
C32 C33 C37 119.8(2) . . ?
C35 C34 C33 117.7(2) . . ?
C35 C34 H34 121.2 . . ?
C33 C34 H34 121.2 . . ?
C34 C35 C36 121.2(2) . . ?
C34 C35 C38 119.7(2) . . ?
C36 C35 C38 119.1(2) . . ?
C35 C36 C31 122.1(2) . . ?
C35 C36 H36 118.9 . . ?
C31 C36 H36 118.9 . . ?
F32 C37 F31 106.4(2) . . ?
F32 C37 F33 106.3(2) . . ?
F31 C37 F33 105.5(2) . . ?
F32 C37 C33 112.8(2) . . ?
F31 C37 C33 112.8(2) . . ?
F33 C37 C33 112.6(2) . . ?
F34 C38 F35 110.3(3) . . ?
F34 C38 F36 103.3(3) . . ?
F35 C38 F36 101.8(2) . . ?
F34 C38 C35 114.5(2) . . ?
F35 C38 C35 113.0(2) . . ?
F36 C38 C35 112.9(2) . . ?
C42 C41 C46 115.33(19) . . ?
C42 C41 B 124.63(18) . . ?
C46 C41 B 119.63(18) . . ?
C43 C42 C41 122.41(19) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C44 C43 C42 121.1(2) . . ?
C44 C43 C47 119.9(2) . . ?
C42 C43 C47 119.0(2) . . ?
C45 C44 C43 117.5(2) . . ?
C45 C44 H44 121.2 . . ?
C43 C44 H44 121.2 . . ?
C44 C45 C46 121.2(2) . . ?
C44 C45 C48 120.1(2) . . ?
C46 C45 C48 118.8(2) . . ?
C45 C46 C41 122.4(2) . . ?
C45 C46 H46 118.8 . . ?
C41 C46 H46 118.8 . . ?
F42 C47 F43 106.7(2) . . ?
F42 C47 F41 106.76(18) . . ?
F43 C47 F41 105.4(2) . . ?
F42 C47 C43 112.8(2) . . ?
F43 C47 C43 113.19(18) . . ?
F41 C47 C43 111.5(2) . . ?
F44 C48 F46 108.3(3) . . ?
F44 C48 F45 107.6(3) . . ?
F46 C48 F45 101.0(3) . . ?
F44 C48 C45 114.5(2) . . ?
F46 C48 C45 112.3(2) . . ?
F45 C48 C45 112.3(2) . . ?
C52 C51 C56 115.81(18) . . ?
C52 C51 B 121.88(18) . . ?
C56 C51 B 122.14(17) . . ?
C53 C52 C51 122.2(2) . . ?
C53 C52 H52 118.9 . . ?
C51 C52 H52 118.9 . . ?
C54 C53 C52 120.80(19) . . ?
C54 C53 C57 120.5(2) . . ?
C52 C53 C57 118.7(2) . . ?
C54 C55 C56 121.5(2) . . ?
C54 C55 C58 120.2(2) . . ?
C56 C55 C58 118.2(2) . . ?
C55 C54 C53 117.8(2) . . ?
C55 C54 H54 121.1 . . ?
C53 C54 H54 121.1 . . ?
C55 C56 C51 121.82(19) . . ?
C55 C56 H56 119.1 . . ?
C51 C56 H56 119.1 . . ?
F51 C57 F53 107.2(2) . . ?
F51 C57 F52 105.4(2) . . ?
F53 C57 F52 105.7(2) . . ?
F51 C57 C53 112.5(2) . . ?
F53 C57 C53 113.1(2) . . ?
F52 C57 C53 112.5(2) . . ?
F54 C58 F55 106.2(2) . . ?
F54 C58 F56 107.2(2) . . ?
F55 C58 F56 104.9(2) . . ?
F54 C58 C55 113.7(2) . . ?
F55 C58 C55 112.3(2) . . ?
F56 C58 C55 112.0(2) . . ?
C66 C61 C62 115.59(19) . . ?
C66 C61 B 121.63(18) . . ?
C62 C61 B 122.42(18) . . ?
C63 C62 C61 121.9(2) . . ?
C63 C62 H62 119.0 . . ?
C61 C62 H62 119.0 . . ?
C64 C63 C62 121.2(2) . . ?
C64 C63 C67 120.0(2) . . ?
C62 C63 C67 118.8(2) . . ?
C63 C64 C65 117.7(2) . . ?
C63 C64 H64 121.2 . . ?
C65 C64 H64 121.2 . . ?
C64 C65 C66 121.1(2) . . ?
C64 C65 C68 120.6(2) . . ?
C66 C65 C68 118.4(2) . . ?
C65 C66 C61 122.5(2) . . ?
C65 C66 H66 118.7 . . ?
C61 C66 H66 118.7 . . ?
F62 C67 F63 106.8(3) . . ?
F62 C67 F61 105.5(3) . . ?
F63 C67 F61 103.0(3) . . ?
F62 C67 C63 114.5(2) . . ?
F63 C67 C63 113.4(2) . . ?
F61 C67 C63 112.6(3) . . ?
F64 C68 F66 110.1(3) . . ?
F64 C68 F65 105.4(2) . . ?
F66 C68 F65 102.9(2) . . ?
F64 C68 C65 113.3(2) . . ?
F66 C68 C65 112.4(2) . . ?
F65 C68 C65 112.0(2) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.074
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ks183
_database_code_depnum_ccdc_archive 'CCDC 1470466'
_audit_update_record             
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H36 Ag Fe2 N2 P2, B F4, C4 H8 O2'
_chemical_formula_sum            'C50 H44 Ag B F4 Fe2 N2 O2 P2'
_chemical_formula_weight         1073.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_name_H-M            'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   9.5212(3)
_cell_length_b                   21.6705(6)
_cell_length_c                   22.1659(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4573.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9877
_cell_measurement_theta_min      4.67
_cell_measurement_theta_max      54.91

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2176
_exptl_absorpt_coefficient_mu    1.179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_T_max  0.850

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40999
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.84
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10500
_reflns_number_gt                9875
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0263P)²+1.4132P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.011(10)
_refine_ls_number_reflns         10500
_refine_ls_number_parameters     607
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0552
_refine_ls_wR_factor_gt          0.0540
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.438768(18) 0.533273(7) 0.906824(8) 0.01813(4) Uani 1 1 d . . .
Fe1 Fe 0.43721(4) 0.341860(14) 1.001433(14) 0.01846(7) Uani 1 1 d . . .
P1 P 0.37609(7) 0.50093(3) 1.00850(3) 0.01661(12) Uani 1 1 d . . .
N1 N 0.3560(3) 0.44262(10) 0.84809(10) 0.0290(5) Uani 1 1 d . . .
C101 C 0.4004(3) 0.34431(11) 0.91052(11) 0.0226(5) Uani 1 1 d . . .
C102 C 0.2966(3) 0.30704(11) 0.93979(11) 0.0255(5) Uani 1 1 d . . .
H102 H 0.1980 0.3137 0.9398 0.031 Uiso 1 1 calc R . .
C103 C 0.3691(3) 0.25841(12) 0.96864(12) 0.0297(6) Uani 1 1 d . . .
H103 H 0.3269 0.2261 0.9912 0.036 Uiso 1 1 calc R . .
C104 C 0.5153(3) 0.26563(13) 0.95843(12) 0.0328(7) Uani 1 1 d . . .
H104 H 0.5869 0.2391 0.9733 0.039 Uiso 1 1 calc R . .
C105 C 0.5373(3) 0.31898(12) 0.92239(11) 0.0294(6) Uani 1 1 d . . .
H105 H 0.6249 0.3348 0.9088 0.035 Uiso 1 1 calc R . .
C106 C 0.4232(3) 0.42736(10) 1.04126(10) 0.0182(5) Uani 1 1 d . . .
C107 C 0.3323(3) 0.38473(11) 1.07106(11) 0.0238(5) Uani 1 1 d . . .
H107 H 0.2334 0.3888 1.0753 0.029 Uiso 1 1 calc R . .
C108 C 0.4145(3) 0.33542(11) 1.09308(11) 0.0311(6) Uani 1 1 d . . .
H108 H 0.3801 0.3006 1.1145 0.037 Uiso 1 1 calc R . .
C109 C 0.5560(3) 0.34654(11) 1.07804(11) 0.0314(6) Uani 1 1 d . . .
H109 H 0.6333 0.3207 1.0879 0.038 Uiso 1 1 calc R . .
C110 C 0.5633(3) 0.40307(11) 1.04547(11) 0.0269(5) Uani 1 1 d . . .
H110 H 0.6459 0.4214 1.0294 0.032 Uiso 1 1 calc R . .
C111 C 0.3748(3) 0.39840(12) 0.87561(11) 0.0238(5) Uani 1 1 d . . .
C112 C 0.4446(3) 0.55690(10) 1.06224(10) 0.0186(5) Uani 1 1 d . . .
C113 C 0.4662(3) 0.54353(11) 1.12243(11) 0.0316(6) Uani 1 1 d . . .
H113 H 0.4452 0.5034 1.1370 0.038 Uiso 1 1 calc R . .
C114 C 0.5178(3) 0.58740(12) 1.16188(13) 0.0379(7) Uani 1 1 d . . .
H114 H 0.5314 0.5773 1.2032 0.045 Uiso 1 1 calc R . .
C115 C 0.5493(3) 0.64565(11) 1.14148(12) 0.0307(6) Uani 1 1 d . . .
H115 H 0.5857 0.6758 1.1684 0.037 Uiso 1 1 calc R . .
C116 C 0.5279(3) 0.66000(12) 1.08188(13) 0.0337(7) Uani 1 1 d . . .
H116 H 0.5479 0.7005 1.0678 0.040 Uiso 1 1 calc R . .
C117 C 0.4775(3) 0.61608(11) 1.04207(11) 0.0266(6) Uani 1 1 d . . .
H117 H 0.4652 0.6263 1.0007 0.032 Uiso 1 1 calc R . .
C118 C 0.1857(3) 0.50297(10) 1.01752(11) 0.0184(5) Uani 1 1 d . . .
C119 C 0.1024(3) 0.46856(12) 0.97773(11) 0.0244(5) Uani 1 1 d . . .
H119 H 0.1460 0.4423 0.9490 0.029 Uiso 1 1 calc R . .
C120 C -0.0435(3) 0.47242(13) 0.97990(12) 0.0314(6) Uani 1 1 d . . .
H120 H -0.0993 0.4486 0.9531 0.038 Uiso 1 1 calc R . .
C121 C -0.1069(3) 0.51140(13) 1.02163(14) 0.0333(7) Uani 1 1 d . . .
H121 H -0.2062 0.5154 1.0223 0.040 Uiso 1 1 calc R . .
C122 C -0.0261(3) 0.54425(13) 1.06200(13) 0.0317(6) Uani 1 1 d . . .
H122 H -0.0704 0.5698 1.0912 0.038 Uiso 1 1 calc R . .
C123 C 0.1197(3) 0.54030(12) 1.06041(11) 0.0248(5) Uani 1 1 d . . .
H123 H 0.1744 0.5630 1.0885 0.030 Uiso 1 1 calc R . .
Fe2 Fe 0.02661(3) 0.599545(14) 0.817728(14) 0.01540(7) Uani 1 1 d . . .
P2 P 0.37433(6) 0.62729(3) 0.85293(3) 0.01464(12) Uani 1 1 d . . .
N2 N -0.3336(2) 0.52001(10) 0.87050(11) 0.0331(5) Uani 1 1 d . . .
C201 C -0.1183(2) 0.53353(11) 0.80189(10) 0.0208(5) Uani 1 1 d . . .
C202 C 0.0169(2) 0.50536(11) 0.80943(11) 0.0198(5) Uani 1 1 d . . .
H202 H 0.0423 0.4759 0.8392 0.024 Uiso 1 1 calc R . .
C203 C 0.1048(2) 0.52967(12) 0.76422(11) 0.0243(5) Uani 1 1 d . . .
H203 H 0.2005 0.5190 0.7580 0.029 Uiso 1 1 calc R . .
C204 C 0.0271(3) 0.57266(11) 0.72944(11) 0.0285(6) Uani 1 1 d . . .
H204 H 0.0625 0.5960 0.6965 0.034 Uiso 1 1 calc R . .
C205 C -0.1114(3) 0.57505(12) 0.75183(12) 0.0269(6) Uani 1 1 d . . .
H205 H -0.1860 0.5996 0.7366 0.032 Uiso 1 1 calc R . .
C206 C 0.1902(2) 0.64522(10) 0.85636(10) 0.0153(4) Uani 1 1 d . . .
C207 C 0.1082(2) 0.68646(10) 0.81999(12) 0.0211(5) Uani 1 1 d . . .
H207 H 0.1410 0.7094 0.7863 0.025 Uiso 1 1 calc R . .
C208 C -0.0308(3) 0.68686(11) 0.84335(12) 0.0247(5) Uani 1 1 d . . .
H208 H -0.1071 0.7103 0.8280 0.030 Uiso 1 1 calc R . .
C209 C -0.0363(2) 0.64611(10) 0.89362(11) 0.0212(5) Uani 1 1 d . . .
H209 H -0.1167 0.6375 0.9175 0.025 Uiso 1 1 calc R . .
C210 C 0.0994(2) 0.62066(10) 0.90175(10) 0.0176(5) Uani 1 1 d . . .
H210 H 0.1257 0.5921 0.9322 0.021 Uiso 1 1 calc R . .
C211 C -0.2376(3) 0.52505(11) 0.84047(12) 0.0244(5) Uani 1 1 d . . .
C212 C 0.4535(3) 0.69540(10) 0.88764(10) 0.0173(5) Uani 1 1 d . . .
C213 C 0.5992(3) 0.70062(12) 0.88849(12) 0.0272(6) Uani 1 1 d . . .
H213 H 0.6548 0.6707 0.8683 0.033 Uiso 1 1 calc R . .
C214 C 0.6642(3) 0.74894(12) 0.91845(13) 0.0318(6) Uani 1 1 d . . .
H214 H 0.7637 0.7521 0.9182 0.038 Uiso 1 1 calc R . .
C215 C 0.5853(3) 0.79221(12) 0.94843(12) 0.0307(6) Uani 1 1 d . . .
H215 H 0.6300 0.8252 0.9691 0.037 Uiso 1 1 calc R . .
C216 C 0.4414(3) 0.78761(12) 0.94839(13) 0.0369(7) Uani 1 1 d . . .
H216 H 0.3867 0.8176 0.9690 0.044 Uiso 1 1 calc R . .
C217 C 0.3748(3) 0.73905(11) 0.91818(13) 0.0289(6) Uani 1 1 d . . .
H217 H 0.2752 0.7360 0.9186 0.035 Uiso 1 1 calc R . .
C218 C 0.4258(3) 0.63163(10) 0.77406(10) 0.0191(5) Uani 1 1 d . . .
C219 C 0.4300(3) 0.68737(12) 0.74264(12) 0.0346(6) Uani 1 1 d . . .
H219 H 0.4072 0.7249 0.7625 0.042 Uiso 1 1 calc R . .
C220 C 0.4679(4) 0.68746(15) 0.68223(13) 0.0473(8) Uani 1 1 d . . .
H220 H 0.4695 0.7253 0.6606 0.057 Uiso 1 1 calc R . .
C221 C 0.5030(3) 0.63361(16) 0.65324(12) 0.0432(8) Uani 1 1 d . . .
H221 H 0.5297 0.6345 0.6120 0.052 Uiso 1 1 calc R . .
C222 C 0.4998(3) 0.57818(14) 0.68381(12) 0.0347(6) Uani 1 1 d . . .
H222 H 0.5230 0.5409 0.6636 0.042 Uiso 1 1 calc R . .
C223 C 0.4622(2) 0.57715(11) 0.74468(11) 0.0237(5) Uani 1 1 d . . .
H223 H 0.4615 0.5392 0.7661 0.028 Uiso 1 1 calc R . .
B1 B 0.9117(4) 0.34231(15) 0.85553(17) 0.0378(8) Uani 1 1 d D . .
F1 F 0.8179(2) 0.39029(9) 0.85823(11) 0.0600(6) Uani 1 1 d . . .
F1A F 0.8890(4) 0.29923(16) 0.81302(18) 0.0763(12) Uani 0.792(5) 1 d PU . .
F2A F 0.9047(5) 0.31486(14) 0.91269(17) 0.0887(13) Uani 0.792(5) 1 d PU . .
F3A F 1.0492(2) 0.36560(10) 0.85314(13) 0.0518(9) Uani 0.792(5) 1 d PU . .
F1B F 0.8202(15) 0.2915(5) 0.8391(7) 0.066(4) Uani 0.208(5) 1 d PU . .
F2B F 1.0000(17) 0.3191(7) 0.8950(7) 0.103(5) Uani 0.208(5) 1 d PDU . .
F3B F 0.9507(15) 0.3594(5) 0.7966(5) 0.084(4) Uani 0.208(5) 1 d PU . .
O51 O 0.3916(3) 0.41941(14) 0.69824(11) 0.0727(8) Uani 1 1 d . . .
O52 O 0.4118(2) 0.32962(9) 0.74810(10) 0.0445(6) Uani 1 1 d . . .
C51 C 0.6183(4) 0.3856(2) 0.7341(2) 0.0734(13) Uani 1 1 d . . .
H51A H 0.6659 0.3531 0.7111 0.110 Uiso 1 1 calc R . .
H51B H 0.6392 0.3807 0.7771 0.110 Uiso 1 1 calc R . .
H51C H 0.6513 0.4261 0.7204 0.110 Uiso 1 1 calc R . .
C52 C 0.4618(4) 0.38087(18) 0.72429(15) 0.0525(9) Uani 1 1 d . . .
C53 C 0.2589(3) 0.32127(16) 0.74309(15) 0.0467(9) Uani 1 1 d . . .
H53A H 0.2310 0.3184 0.7001 0.061 Uiso 1 1 calc R . .
H53B H 0.2093 0.3567 0.7615 0.061 Uiso 1 1 calc R . .
C54 C 0.2222(4) 0.26364(17) 0.77512(17) 0.0589(10) Uani 1 1 d . . .
H54A H 0.2660 0.2285 0.7546 0.088 Uiso 1 1 calc R . .
H54B H 0.1200 0.2584 0.7752 0.088 Uiso 1 1 calc R . .
H54C H 0.2563 0.2658 0.8168 0.088 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag N2 2.330(2) 1_655 ?
Ag P1 2.4345(6) . ?
Ag P2 2.4403(6) . ?
Ag N1 2.485(2) . ?
Fe1 C110 2.038(2) . ?
Fe1 C109 2.043(3) . ?
Fe1 C101 2.046(3) . ?
Fe1 C104 2.047(3) . ?
Fe1 C108 2.048(3) . ?
Fe1 C103 2.054(3) . ?
Fe1 C105 2.055(3) . ?
Fe1 C102 2.056(3) . ?
Fe1 C106 2.057(2) . ?
Fe1 C107 2.060(2) . ?
P1 C106 1.808(2) . ?
P1 C112 1.821(2) . ?
P1 C118 1.824(2) . ?
N1 C111 1.150(3) . ?
C101 C111 1.426(4) . ?
C101 C102 1.432(4) . ?
C101 C105 1.438(4) . ?
C102 C103 1.413(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.419(4) . ?
C103 H103 0.9500 . ?
C104 C105 1.421(4) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C107 1.428(3) . ?
C106 C110 1.437(4) . ?
C107 C108 1.411(4) . ?
C107 H107 0.9500 . ?
C108 C109 1.409(4) . ?
C108 H108 0.9500 . ?
C109 C110 1.423(4) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C112 C113 1.381(3) . ?
C112 C117 1.394(3) . ?
C113 C114 1.382(4) . ?
C113 H113 0.9500 . ?
C114 C115 1.374(4) . ?
C114 H114 0.9500 . ?
C115 C116 1.373(4) . ?
C115 H115 0.9500 . ?
C116 C117 1.384(4) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.398(3) . ?
C118 C119 1.401(3) . ?
C119 C120 1.393(4) . ?
C119 H119 0.9500 . ?
C120 C121 1.391(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.378(4) . ?
C121 H121 0.9500 . ?
C122 C123 1.391(4) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
Fe2 C201 2.018(2) . ?
Fe2 C206 2.035(2) . ?
Fe2 C205 2.035(2) . ?
Fe2 C207 2.038(2) . ?
Fe2 C210 2.039(2) . ?
Fe2 C204 2.042(2) . ?
Fe2 C208 2.050(2) . ?
Fe2 C209 2.051(2) . ?
Fe2 C202 2.051(2) . ?
Fe2 C203 2.063(2) . ?
P2 C206 1.797(2) . ?
P2 C218 1.818(2) . ?
P2 C212 1.827(2) . ?
N2 C211 1.136(3) . ?
N2 Ag 2.330(2) 1_455 ?
C201 C205 1.430(3) . ?
C201 C211 1.434(3) . ?
C201 C202 1.435(3) . ?
C202 C203 1.408(3) . ?
C202 H202 0.9500 . ?
C203 C204 1.417(4) . ?
C203 H203 0.9500 . ?
C204 C205 1.410(4) . ?
C204 H204 0.9500 . ?
C205 H205 0.9500 . ?
C206 C210 1.429(3) . ?
C206 C207 1.435(3) . ?
C207 C208 1.421(4) . ?
C207 H207 0.9500 . ?
C208 C209 1.423(4) . ?
C208 H208 0.9500 . ?
C209 C210 1.416(3) . ?
C209 H209 0.9500 . ?
C210 H210 0.9500 . ?
C212 C217 1.384(3) . ?
C212 C213 1.391(3) . ?
C213 C214 1.386(4) . ?
C213 H213 0.9500 . ?
C214 C215 1.373(4) . ?
C214 H214 0.9500 . ?
C215 C216 1.373(4) . ?
C215 H215 0.9500 . ?
C216 C217 1.399(4) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C223 1.392(3) . ?
C218 C219 1.395(3) . ?
C219 C220 1.387(4) . ?
C219 H219 0.9500 . ?
C220 C221 1.374(5) . ?
C220 H220 0.9500 . ?
C221 C222 1.379(4) . ?
C221 H221 0.9500 . ?
C222 C223 1.396(4) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
B1 F2B 1.313(8) . ?
B1 F1A 1.344(5) . ?
B1 F1 1.372(4) . ?
B1 F2A 1.401(5) . ?
B1 F3A 1.404(4) . ?
B1 F3B 1.408(10) . ?
B1 F1B 1.450(13) . ?
F1A F1B 0.890(13) . ?
F1A F3B 1.476(12) . ?
F2A F2B 0.993(19) . ?
F3A F2B 1.448(19) . ?
F3A F3B 1.571(15) . ?
O51 C52 1.216(4) . ?
O52 C52 1.319(4) . ?
O52 C53 1.472(4) . ?
C51 C52 1.508(5) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C53 C54 1.478(5) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag P1 120.83(6) 1_655 . ?
N2 Ag P2 99.66(6) 1_655 . ?
P1 Ag P2 129.19(2) . . ?
N2 Ag N1 90.93(8) 1_655 . ?
P1 Ag N1 100.36(5) . . ?
P2 Ag N1 108.90(5) . . ?
C110 Fe1 C109 40.83(10) . . ?
C110 Fe1 C101 123.76(10) . . ?
C109 Fe1 C101 155.80(12) . . ?
C110 Fe1 C104 122.29(12) . . ?
C109 Fe1 C104 103.06(11) . . ?
C101 Fe1 C104 67.95(10) . . ?
C110 Fe1 C108 68.38(11) . . ?
C109 Fe1 C108 40.30(12) . . ?
C101 Fe1 C108 163.89(11) . . ?
C104 Fe1 C108 116.45(11) . . ?
C110 Fe1 C103 158.19(11) . . ?
C109 Fe1 C103 120.84(10) . . ?
C101 Fe1 C103 67.69(10) . . ?
C104 Fe1 C103 40.48(12) . . ?
C108 Fe1 C103 104.93(11) . . ?
C110 Fe1 C105 106.99(11) . . ?
C109 Fe1 C105 117.63(12) . . ?
C101 Fe1 C105 41.06(10) . . ?
C104 Fe1 C105 40.53(11) . . ?
C108 Fe1 C105 151.44(11) . . ?
C103 Fe1 C105 68.43(11) . . ?
C110 Fe1 C102 160.15(10) . . ?
C109 Fe1 C102 158.60(11) . . ?
C101 Fe1 C102 40.86(10) . . ?
C104 Fe1 C102 68.35(11) . . ?
C108 Fe1 C102 124.42(11) . . ?
C103 Fe1 C102 40.22(10) . . ?
C105 Fe1 C102 69.33(11) . . ?
C110 Fe1 C106 41.09(10) . . ?
C109 Fe1 C106 68.56(9) . . ?
C101 Fe1 C106 112.84(9) . . ?
C104 Fe1 C106 161.87(12) . . ?
C108 Fe1 C106 68.21(9) . . ?
C103 Fe1 C106 157.61(12) . . ?
C105 Fe1 C106 127.82(10) . . ?
C102 Fe1 C106 124.99(10) . . ?
C110 Fe1 C107 68.49(11) . . ?
C109 Fe1 C107 67.88(11) . . ?
C101 Fe1 C107 130.04(10) . . ?
C104 Fe1 C107 152.75(11) . . ?
C108 Fe1 C107 40.19(10) . . ?
C103 Fe1 C107 120.60(11) . . ?
C105 Fe1 C107 166.52(10) . . ?
C102 Fe1 C107 110.33(11) . . ?
C106 Fe1 C107 40.60(9) . . ?
C106 P1 C112 103.64(10) . . ?
C106 P1 C118 102.93(11) . . ?
C112 P1 C118 105.54(11) . . ?
C106 P1 Ag 124.38(8) . . ?
C112 P1 Ag 109.04(8) . . ?
C118 P1 Ag 109.76(8) . . ?
C111 N1 Ag 109.36(18) . . ?
C111 C101 C102 126.2(2) . . ?
C111 C101 C105 124.6(2) . . ?
C102 C101 C105 109.1(2) . . ?
C111 C101 Fe1 125.82(17) . . ?
C102 C101 Fe1 69.96(15) . . ?
C105 C101 Fe1 69.81(14) . . ?
C103 C102 C101 106.7(2) . . ?
C103 C102 Fe1 69.79(15) . . ?
C101 C102 Fe1 69.18(14) . . ?
C103 C102 H102 126.6 . . ?
C101 C102 H102 126.6 . . ?
Fe1 C102 H102 126.0 . . ?
C102 C103 C104 109.0(3) . . ?
C102 C103 Fe1 69.99(14) . . ?
C104 C103 Fe1 69.51(16) . . ?
C102 C103 H103 125.5 . . ?
C104 C103 H103 125.5 . . ?
Fe1 C103 H103 126.6 . . ?
C103 C104 C105 108.9(3) . . ?
C103 C104 Fe1 70.01(16) . . ?
C105 C104 Fe1 70.04(14) . . ?
C103 C104 H104 125.6 . . ?
C105 C104 H104 125.6 . . ?
Fe1 C104 H104 126.0 . . ?
C104 C105 C101 106.3(2) . . ?
C104 C105 Fe1 69.43(15) . . ?
C101 C105 Fe1 69.13(15) . . ?
C104 C105 H105 126.9 . . ?
C101 C105 H105 126.9 . . ?
Fe1 C105 H105 126.1 . . ?
C107 C106 C110 107.2(2) . . ?
C107 C106 P1 127.28(19) . . ?
C110 C106 P1 125.41(18) . . ?
C107 C106 Fe1 69.82(13) . . ?
C110 C106 Fe1 68.76(13) . . ?
P1 C106 Fe1 129.64(12) . . ?
C108 C107 C106 108.3(2) . . ?
C108 C107 Fe1 69.44(15) . . ?
C106 C107 Fe1 69.58(13) . . ?
C108 C107 H107 125.9 . . ?
C106 C107 H107 125.9 . . ?
Fe1 C107 H107 126.7 . . ?
C109 C108 C107 108.6(2) . . ?
C109 C108 Fe1 69.66(15) . . ?
C107 C108 Fe1 70.37(14) . . ?
C109 C108 H108 125.7 . . ?
C107 C108 H108 125.7 . . ?
Fe1 C108 H108 125.9 . . ?
C108 C109 C110 108.3(2) . . ?
C108 C109 Fe1 70.03(16) . . ?
C110 C109 Fe1 69.40(14) . . ?
C108 C109 H109 125.9 . . ?
C110 C109 H109 125.9 . . ?
Fe1 C109 H109 126.3 . . ?
C109 C110 C106 107.6(2) . . ?
C109 C110 Fe1 69.77(15) . . ?
C106 C110 Fe1 70.16(14) . . ?
C109 C110 H110 126.2 . . ?
C106 C110 H110 126.2 . . ?
Fe1 C110 H110 125.5 . . ?
N1 C111 C101 178.7(3) . . ?
C113 C112 C117 118.0(2) . . ?
C113 C112 P1 123.08(18) . . ?
C117 C112 P1 118.91(18) . . ?
C112 C113 C114 121.3(2) . . ?
C112 C113 H113 119.3 . . ?
C114 C113 H113 119.3 . . ?
C115 C114 C113 120.1(3) . . ?
C115 C114 H114 119.9 . . ?
C113 C114 H114 119.9 . . ?
C116 C115 C114 119.5(2) . . ?
C116 C115 H115 120.3 . . ?
C114 C115 H115 120.3 . . ?
C115 C116 C117 120.6(2) . . ?
C115 C116 H116 119.7 . . ?
C117 C116 H116 119.7 . . ?
C116 C117 C112 120.4(2) . . ?
C116 C117 H117 119.8 . . ?
C112 C117 H117 119.8 . . ?
C123 C118 C119 118.8(2) . . ?
C123 C118 P1 122.39(19) . . ?
C119 C118 P1 118.73(18) . . ?
C120 C119 C118 120.7(3) . . ?
C120 C119 H119 119.6 . . ?
C118 C119 H119 119.6 . . ?
C121 C120 C119 119.5(3) . . ?
C121 C120 H120 120.2 . . ?
C119 C120 H120 120.2 . . ?
C122 C121 C120 120.2(3) . . ?
C122 C121 H121 119.9 . . ?
C120 C121 H121 119.9 . . ?
C121 C122 C123 120.6(3) . . ?
C121 C122 H122 119.7 . . ?
C123 C122 H122 119.7 . . ?
C122 C123 C118 120.1(3) . . ?
C122 C123 H123 119.9 . . ?
C118 C123 H123 119.9 . . ?
C201 Fe2 C206 160.29(9) . . ?
C201 Fe2 C205 41.31(10) . . ?
C206 Fe2 C205 157.42(10) . . ?
C201 Fe2 C207 156.92(10) . . ?
C206 Fe2 C207 41.26(9) . . ?
C205 Fe2 C207 120.32(10) . . ?
C201 Fe2 C210 123.39(9) . . ?
C206 Fe2 C210 41.07(9) . . ?
C205 Fe2 C210 158.99(10) . . ?
C207 Fe2 C210 68.93(10) . . ?
C201 Fe2 C204 68.45(10) . . ?
C206 Fe2 C204 122.71(10) . . ?
C205 Fe2 C204 40.48(11) . . ?
C207 Fe2 C204 106.64(10) . . ?
C210 Fe2 C204 159.80(11) . . ?
C201 Fe2 C208 121.35(10) . . ?
C206 Fe2 C208 68.81(9) . . ?
C205 Fe2 C208 105.51(10) . . ?
C207 Fe2 C208 40.69(10) . . ?
C210 Fe2 C208 68.32(9) . . ?
C204 Fe2 C208 121.98(11) . . ?
C201 Fe2 C209 106.97(10) . . ?
C206 Fe2 C209 68.83(9) . . ?
C205 Fe2 C209 121.90(10) . . ?
C207 Fe2 C209 68.68(10) . . ?
C210 Fe2 C209 40.52(9) . . ?
C204 Fe2 C209 158.00(11) . . ?
C208 Fe2 C209 40.60(10) . . ?
C201 Fe2 C202 41.27(9) . . ?
C206 Fe2 C202 123.79(9) . . ?
C205 Fe2 C202 69.33(10) . . ?
C207 Fe2 C202 159.86(10) . . ?
C210 Fe2 C202 108.69(9) . . ?
C204 Fe2 C202 68.30(10) . . ?
C208 Fe2 C202 158.64(10) . . ?
C209 Fe2 C202 123.36(10) . . ?
C201 Fe2 C203 68.05(9) . . ?
C206 Fe2 C203 108.84(9) . . ?
C205 Fe2 C203 68.21(10) . . ?
C207 Fe2 C203 123.72(10) . . ?
C210 Fe2 C203 124.55(10) . . ?
C204 Fe2 C203 40.40(10) . . ?
C208 Fe2 C203 158.96(10) . . ?
C209 Fe2 C203 159.76(10) . . ?
C202 Fe2 C203 40.02(9) . . ?
C206 P2 C218 107.01(11) . . ?
C206 P2 C212 102.13(11) . . ?
C218 P2 C212 104.59(10) . . ?
C206 P2 Ag 113.89(8) . . ?
C218 P2 Ag 116.50(8) . . ?
C212 P2 Ag 111.38(7) . . ?
C211 N2 Ag 159.9(2) . 1_455 ?
C205 C201 C211 125.4(2) . . ?
C205 C201 C202 108.5(2) . . ?
C211 C201 C202 125.9(2) . . ?
C205 C201 Fe2 69.98(14) . . ?
C211 C201 Fe2 121.91(17) . . ?
C202 C201 Fe2 70.60(13) . . ?
C203 C202 C201 106.9(2) . . ?
C203 C202 Fe2 70.42(14) . . ?
C201 C202 Fe2 68.13(12) . . ?
C203 C202 H202 126.5 . . ?
C201 C202 H202 126.5 . . ?
Fe2 C202 H202 126.5 . . ?
C202 C203 C204 108.9(2) . . ?
C202 C203 Fe2 69.56(13) . . ?
C204 C203 Fe2 69.02(14) . . ?
C202 C203 H203 125.6 . . ?
C204 C203 H203 125.6 . . ?
Fe2 C203 H203 127.4 . . ?
C205 C204 C203 108.7(2) . . ?
C205 C204 Fe2 69.51(14) . . ?
C203 C204 Fe2 70.58(14) . . ?
C205 C204 H204 125.6 . . ?
C203 C204 H204 125.6 . . ?
Fe2 C204 H204 125.8 . . ?
C204 C205 C201 107.0(2) . . ?
C204 C205 Fe2 70.02(14) . . ?
C201 C205 Fe2 68.71(14) . . ?
C204 C205 H205 126.5 . . ?
C201 C205 H205 126.5 . . ?
Fe2 C205 H205 126.3 . . ?
C210 C206 C207 107.4(2) . . ?
C210 C206 P2 122.64(17) . . ?
C207 C206 P2 129.92(18) . . ?
C210 C206 Fe2 69.64(13) . . ?
C207 C206 Fe2 69.50(13) . . ?
P2 C206 Fe2 128.60(12) . . ?
C208 C207 C206 107.8(2) . . ?
C208 C207 Fe2 70.10(14) . . ?
C206 C207 Fe2 69.24(12) . . ?
C208 C207 H207 126.1 . . ?
C206 C207 H207 126.1 . . ?
Fe2 C207 H207 126.1 . . ?
C207 C208 C209 108.4(2) . . ?
C207 C208 Fe2 69.21(13) . . ?
C209 C208 Fe2 69.74(13) . . ?
C207 C208 H208 125.8 . . ?
C209 C208 H208 125.8 . . ?
Fe2 C208 H208 126.8 . . ?
C210 C209 C208 107.9(2) . . ?
C210 C209 Fe2 69.30(13) . . ?
C208 C209 Fe2 69.66(13) . . ?
C210 C209 H209 126.0 . . ?
C208 C209 H209 126.0 . . ?
Fe2 C209 H209 126.6 . . ?
C209 C210 C206 108.5(2) . . ?
C209 C210 Fe2 70.18(13) . . ?
C206 C210 Fe2 69.29(13) . . ?
C209 C210 H210 125.8 . . ?
C206 C210 H210 125.8 . . ?
Fe2 C210 H210 126.4 . . ?
N2 C211 C201 177.9(3) . . ?
C217 C212 C213 118.5(2) . . ?
C217 C212 P2 122.30(19) . . ?
C213 C212 P2 118.86(19) . . ?
C214 C213 C212 120.9(2) . . ?
C214 C213 H213 119.6 . . ?
C212 C213 H213 119.6 . . ?
C215 C214 C213 120.2(3) . . ?
C215 C214 H214 119.9 . . ?
C213 C214 H214 119.9 . . ?
C214 C215 C216 119.7(2) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C215 C216 C217 120.5(3) . . ?
C215 C216 H216 119.8 . . ?
C217 C216 H216 119.8 . . ?
C212 C217 C216 120.2(3) . . ?
C212 C217 H217 119.9 . . ?
C216 C217 H217 119.9 . . ?
C223 C218 C219 119.6(2) . . ?
C223 C218 P2 118.24(18) . . ?
C219 C218 P2 122.18(19) . . ?
C220 C219 C218 119.4(3) . . ?
C220 C219 H219 120.3 . . ?
C218 C219 H219 120.3 . . ?
C221 C220 C219 120.9(3) . . ?
C221 C220 H220 119.5 . . ?
C219 C220 H220 119.5 . . ?
C220 C221 C222 120.3(3) . . ?
C220 C221 H221 119.8 . . ?
C222 C221 H221 119.8 . . ?
C221 C222 C223 119.6(3) . . ?
C221 C222 H222 120.2 . . ?
C223 C222 H222 120.2 . . ?
C218 C223 C222 120.2(2) . . ?
C218 C223 H223 119.9 . . ?
C222 C223 H223 119.9 . . ?
F2B B1 F1A 107.7(7) . . ?
F2B B1 F1 132.7(8) . . ?
F1A B1 F1 116.9(3) . . ?
F1A B1 F2A 109.4(3) . . ?
F1 B1 F2A 104.6(3) . . ?
F2B B1 F3A 64.3(9) . . ?
F1A B1 F3A 111.9(3) . . ?
F1 B1 F3A 109.6(2) . . ?
F2A B1 F3A 103.3(3) . . ?
F2B B1 F3B 123.4(11) . . ?
F1A B1 F3B 64.9(6) . . ?
F1 B1 F3B 90.7(5) . . ?
F2A B1 F3B 164.4(6) . . ?
F3A B1 F3B 67.9(7) . . ?
F2B B1 F1B 105.1(9) . . ?
F1 B1 F1B 101.3(5) . . ?
F2A B1 F1B 82.9(6) . . ?
F3A B1 F1B 145.4(6) . . ?
F3B B1 F1B 97.3(8) . . ?
F1B F1A B1 78.0(9) . . ?
F1B F1A F3B 128.2(10) . . ?
B1 F1A F3B 59.7(5) . . ?
F2B F2A B1 63.9(6) . . ?
B1 F3A F2B 54.8(5) . . ?
B1 F3A F3B 56.1(4) . . ?
F2B F3A F3B 105.0(6) . . ?
F1A F1B B1 65.1(9) . . ?
F2A F2B B1 73.4(7) . . ?
F2A F2B F3A 127.8(10) . . ?
B1 F2B F3A 60.9(6) . . ?
B1 F3B F1A 55.5(4) . . ?
B1 F3B F3A 55.9(5) . . ?
F1A F3B F3A 96.7(6) . . ?
C52 O52 C53 115.5(3) . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O51 C52 O52 124.8(4) . . ?
O51 C52 C51 124.4(4) . . ?
O52 C52 C51 110.9(3) . . ?
O52 C53 C54 107.5(3) . . ?
O52 C53 H53A 110.2 . . ?
C54 C53 H53A 110.2 . . ?
O52 C53 H53B 110.2 . . ?
C54 C53 H53B 110.2 . . ?
H53A C53 H53B 108.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.057
