# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_AG12
_database_code_depnum_ccdc_archive 'CCDC 1900903'
loop_
_audit_author_name
_audit_author_address
'Zhang Min'
;Soochow University
China
;

_audit_update_record             
;
2019-04-11 deposited with the CCDC.	2019-05-16 downloaded from the CCDC.
;
_publcif_datablock.id            {b6903ea9-5a5e-4e2a-8470-8d789bc62c9d}

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C80 H101 Ag6 N11 S6, 6(F6 P), 3(C3 H7 N O), C2 H3 N [+ solvent]'
_chemical_formula_sum            'C91 H125 Ag6 F36 N15 O3 P6 S6'
_chemical_formula_weight         3186.45

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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   18.3280(13)
_cell_length_b                   18.8247(14)
_cell_length_c                   19.5818(15)
_cell_angle_alpha                73.302(2)
_cell_angle_beta                 81.107(2)
_cell_angle_gamma                86.840(2)
_cell_volume                     6393.0(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    9585
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_F_000             3184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    1.176
_shelx_estimated_absorpt_T_min   0.651
_shelx_estimated_absorpt_T_max   0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.661
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   
;
 Sheldrick, G.M. SADABS (Program for Scaling and Correction of Area Detector
 Data), version 2008/1; University of Göttingen: Göttingen, Germany, 2008.
;

_exptl_special_details           ?

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            281324
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.166
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             30413
_reflns_number_gt                24603
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 D8 Quest'
_computing_cell_refinement       'Bruker D8 Quest'
_computing_data_reduction        'Bruker D8 Quest'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'publCIF (Westrip, 2010)'

_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)+(0.0353P)²+64.2587P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         30413
_refine_ls_number_parameters     1501
_refine_ls_number_restraints     65
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0723
_refine_ls_wR_factor_ref         0.1745
_refine_ls_wR_factor_gt          0.1591
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.004
_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 1.13607(3) 0.38485(3) -0.19758(3) 0.03662(11) Uani 1 1 d . . . . .
Ag2 Ag 1.04397(2) 0.61759(2) -0.47906(2) 0.02791(10) Uani 1 1 d . . . . .
Ag3 Ag 0.97512(3) 0.32732(3) -0.27275(3) 0.04325(13) Uani 1 1 d . . . . .
Ag4 Ag 1.12301(2) 0.47408(3) -0.42266(3) 0.03251(11) Uani 1 1 d . . . . .
Ag5 Ag 1.12073(2) 0.57612(3) -0.61046(3) 0.03227(10) Uani 1 1 d . . . . .
Ag6 Ag 0.99736(3) 0.46771(3) -0.21740(3) 0.05079(15) Uani 1 1 d . . . . .
S1 S 0.88949(9) 0.43355(9) -0.25467(8) 0.0336(3) Uani 1 1 d . . . . .
S2 S 1.11142(8) 0.35221(8) -0.30636(8) 0.0284(3) Uani 1 1 d . . . . .
S3 S 1.08207(9) 0.48483(8) -0.14189(8) 0.0342(3) Uani 1 1 d . . . . .
S4 S 1.06606(7) 0.56698(7) -0.35453(7) 0.0238(3) Uani 1 1 d . . . . .
S5 S 1.06066(7) 0.70016(7) -0.60101(7) 0.0261(3) Uani 1 1 d . . . . .
S6 S 1.08156(7) 0.44899(7) -0.52921(7) 0.0230(3) Uani 1 1 d . . . . .
P1 P 0.84022(17) 0.12604(17) 0.10831(17) 0.0762(7) Uani 1 1 d . . . . .
P2 P 1.1795(5) -0.0283(3) -0.4645(3) 0.165(3) Uani 1 1 d . . . . .
P3 P 1.45390(15) 0.20839(19) -0.15340(16) 0.0760(8) Uani 1 1 d . . . . .
P4 P 1.53450(17) 0.57202(16) -0.16178(19) 0.0813(8) Uani 1 1 d . . . . .
P5 P 0.50435(11) 1.11040(11) 0.24592(14) 0.0533(5) Uani 1 1 d . . . . .
P6 P 0.51054(13) 0.74629(14) 0.48120(14) 0.0625(6) Uani 1 1 d . . . . .
F1 F 0.7561(5) 0.1194(5) 0.1347(8) 0.173(5) Uani 1 1 d . . . . .
F2 F 0.8421(7) 0.1185(5) 0.1899(5) 0.155(4) Uani 1 1 d . . . . .
F3 F 0.8317(5) 0.2130(4) 0.0955(4) 0.107(2) Uani 1 1 d . . . . .
F4 F 0.9237(5) 0.1302(7) 0.1005(9) 0.231(7) Uani 1 1 d . . . . .
F5 F 0.8299(13) 0.1373(8) 0.0325(6) 0.298(11) Uani 1 1 d . . . . .
F6 F 0.8453(6) 0.0384(5) 0.1254(7) 0.160(4) Uani 1 1 d . . . . .
F7 F 1.0915(8) -0.0218(6) -0.4710(6) 0.179(5) Uani 1 1 d . . . . .
F8 F 1.1937(7) 0.0190(6) -0.5434(6) 0.173(4) Uani 1 1 d . . . . .
F9 F 1.1887(9) -0.0992(5) -0.4900(5) 0.201(6) Uani 1 1 d . . . . .
F10 F 1.2638(11) -0.0319(11) -0.4604(11) 0.309(13) Uani 1 1 d . . . . .
F11 F 1.1699(13) -0.0746(8) -0.3870(6) 0.292(11) Uani 1 1 d . . . . .
F12 F 1.1697(8) 0.0424(7) -0.4387(8) 0.230(8) Uani 1 1 d . . . . .
F13 F 1.3803(5) 0.1673(7) -0.1207(6) 0.164(4) Uani 1 1 d . . . . .
F14 F 1.4365(8) 0.2653(7) -0.1109(6) 0.184(5) Uani 1 1 d . . . . .
F15 F 1.4886(8) 0.1616(6) -0.0895(8) 0.220(7) Uani 1 1 d . . . . .
F16 F 1.5272(6) 0.2461(9) -0.1857(6) 0.215(6) Uani 1 1 d . . . . .
F17 F 1.4671(6) 0.1500(8) -0.1957(8) 0.207(6) Uani 1 1 d . . . . .
F18 F 1.4141(9) 0.2577(7) -0.2142(7) 0.223(7) Uani 1 1 d . . . . .
F19 F 1.4485(4) 0.5732(5) -0.1423(5) 0.133(3) Uani 1 1 d . . . . .
F20 F 1.5450(8) 0.5580(8) -0.0818(6) 0.202(6) Uani 1 1 d . . . . .
F21 F 1.5325(4) 0.4863(4) -0.1500(6) 0.145(4) Uani 1 1 d . . . . .
F22 F 1.6213(4) 0.5711(5) -0.1839(6) 0.142(4) Uani 1 1 d . . . . .
F23 F 1.5229(5) 0.5856(6) -0.2422(5) 0.141(3) Uani 1 1 d . . . . .
F24 F 1.5356(6) 0.6570(4) -0.1743(7) 0.170(4) Uani 1 1 d . . . . .
F25 F 0.4823(8) 1.0567(8) 0.3206(6) 0.222(7) Uani 1 1 d . . . . .
F26 F 0.5880(3) 1.0973(4) 0.2538(7) 0.159(5) Uani 1 1 d . . . . .
F27 F 0.5021(4) 1.0400(5) 0.2221(7) 0.162(5) Uani 1 1 d . . . . .
F28 F 0.5232(7) 1.1607(9) 0.1711(7) 0.232(7) Uani 1 1 d . . . . .
F29 F 0.4200(3) 1.1237(4) 0.2413(5) 0.103(2) Uani 1 1 d . . . . .
F30 F 0.5056(4) 1.1779(5) 0.2735(8) 0.189(6) Uani 1 1 d . . . . .
F31 F 0.5074(5) 0.7486(10) 0.5596(5) 0.220(7) Uani 1 1 d . . . . .
F32 F 0.5174(5) 0.6614(4) 0.5047(7) 0.179(5) Uani 1 1 d . . . . .
F33 F 0.4224(3) 0.7416(4) 0.4940(4) 0.0928(19) Uani 1 1 d . . . . .
F34 F 0.5137(4) 0.7467(5) 0.4019(4) 0.116(3) Uani 1 1 d . . . . .
F35 F 0.5035(4) 0.8321(4) 0.4567(7) 0.157(4) Uani 1 1 d . . . . .
F36 F 0.5981(3) 0.7524(4) 0.4684(4) 0.0908(19) Uani 1 1 d . . . . .
N1 N 0.6398(4) 0.3011(4) -0.0176(4) 0.0536(16) Uani 1 1 d . . . . .
N2 N 1.3028(4) 0.0778(3) -0.2963(4) 0.0559(17) Uani 1 1 d . . . . .
N3 N 1.0021(4) 0.2999(3) 0.1670(3) 0.0507(16) Uani 1 1 d . . . . .
N4 N 1.3147(3) 0.7358(3) -0.3019(3) 0.0359(11) Uani 1 1 d . . . . .
N5 N 1.3243(3) 0.9031(3) -0.6764(4) 0.0552(17) Uani 1 1 d . . . . .
N6 N 1.2903(4) 0.2305(4) -0.6369(4) 0.0602(19) Uani 1 1 d . . . . .
N7 N 1.1431(3) 0.2742(3) -0.1037(3) 0.0440(13) Uani 1 1 d . . . . .
N8 N 1.0444(4) -0.2110(3) 0.1887(3) 0.0449(14) Uani 1 1 d . . . . .
N9 N 1.2515(3) 0.4868(3) -0.4311(3) 0.0377(12) Uani 1 1 d . . . . .
N10 N 1.7493(3) 0.4252(3) -0.3687(3) 0.0372(12) Uani 1 1 d . . . . .
N11 N 1.2710(4) 0.4060(4) -0.2057(5) 0.068(2) Uani 1 1 d . . . . .
N15 N 0.9794(13) -0.1587(10) -0.4986(10) 0.210(10) Uani 1 1 d . . . . .
C1 C 0.8189(3) 0.3943(3) -0.1821(3) 0.0324(12) Uani 1 1 d . . . . .
C2 C 0.7468(4) 0.4172(4) -0.1902(4) 0.0454(17) Uani 1 1 d . . . . .
H2A H 0.7373 0.4536 -0.2322 0.054 Uiso 1 1 calc R U . . .
C3 C 0.6879(4) 0.3869(5) -0.1367(4) 0.0505(18) Uani 1 1 d . . . . .
H3A H 0.6390 0.4017 -0.1431 0.061 Uiso 1 1 calc R U . . .
C4 C 0.7028(4) 0.3348(4) -0.0744(4) 0.0421(15) Uani 1 1 d . . . . .
C5 C 0.7747(4) 0.3133(4) -0.0650(4) 0.0470(17) Uani 1 1 d . . . . .
H5A H 0.7847 0.2787 -0.0221 0.056 Uiso 1 1 calc R U . . .
C6 C 0.8318(4) 0.3432(4) -0.1190(3) 0.0395(15) Uani 1 1 d . . . . .
H6A H 0.8806 0.3282 -0.1124 0.047 Uiso 1 1 calc R U . . .
C7 C 0.6518(13) 0.2988(18) 0.0546(11) 0.084(8) Uani 0.54(2) 1 d . U P A 1
H7A H 0.6578 0.3488 0.0570 0.125 Uiso 0.54(2) 1 calc R U P A 1
H7B H 0.6959 0.2698 0.0660 0.125 Uiso 0.54(2) 1 calc R U P A 1
H7C H 0.6096 0.2762 0.0889 0.125 Uiso 0.54(2) 1 calc R U P A 1
C8 C 0.6325(19) 0.2181(16) -0.0181(17) 0.108(10) Uani 0.54(2) 1 d . U P A 1
H8A H 0.6101 0.2171 -0.0596 0.162 Uiso 0.54(2) 1 calc R U P A 1
H8B H 0.6017 0.1912 0.0257 0.162 Uiso 0.54(2) 1 calc R U P A 1
H8C H 0.6811 0.1950 -0.0207 0.162 Uiso 0.54(2) 1 calc R U P A 1
C9 C 0.5653(10) 0.3388(16) -0.0302(14) 0.105(11) Uani 0.54(2) 1 d . U P A 1
H9A H 0.5668 0.3897 -0.0286 0.158 Uiso 0.54(2) 1 calc R U P A 1
H9B H 0.5270 0.3124 0.0069 0.158 Uiso 0.54(2) 1 calc R U P A 1
H9C H 0.5547 0.3382 -0.0771 0.158 Uiso 0.54(2) 1 calc R U P A 1
C7A C 0.6696(14) 0.2484(19) 0.0488(13) 0.083(9) Uani 0.46(2) 1 d . U P A 2
H7AA H 0.6872 0.2774 0.0765 0.124 Uiso 0.46(2) 1 calc R U P A 2
H7AB H 0.7100 0.2187 0.0329 0.124 Uiso 0.46(2) 1 calc R U P A 2
H7AC H 0.6304 0.2162 0.0786 0.124 Uiso 0.46(2) 1 calc R U P A 2
C8A C 0.5936(16) 0.262(2) -0.0463(16) 0.090(10) Uani 0.46(2) 1 d . U P A 2
H8AA H 0.5576 0.2962 -0.0701 0.135 Uiso 0.46(2) 1 calc R U P A 2
H8AB H 0.5683 0.2231 -0.0075 0.135 Uiso 0.46(2) 1 calc R U P A 2
H8AC H 0.6235 0.2406 -0.0808 0.135 Uiso 0.46(2) 1 calc R U P A 2
C9A C 0.6009(12) 0.3635(14) 0.0087(14) 0.078(8) Uani 0.46(2) 1 d . U P A 2
H9AA H 0.6344 0.4047 -0.0020 0.117 Uiso 0.46(2) 1 calc R U P A 2
H9AB H 0.5855 0.3461 0.0603 0.117 Uiso 0.46(2) 1 calc R U P A 2
H9AC H 0.5580 0.3798 -0.0153 0.117 Uiso 0.46(2) 1 calc R U P A 2
C10 C 1.1664(3) 0.2714(3) -0.3063(3) 0.0293(12) Uani 1 1 d . . . . .
C11 C 1.1456(3) 0.2155(4) -0.3320(4) 0.0370(14) Uani 1 1 d . . . . .
H11A H 1.1011 0.2203 -0.3513 0.044 Uiso 1 1 calc R U . . .
C12 C 1.1893(4) 0.1527(4) -0.3300(4) 0.0452(16) Uani 1 1 d . . . . .
H12A H 1.1742 0.1149 -0.3471 0.054 Uiso 1 1 calc R U . . .
C13 C 1.2552(4) 0.1459(3) -0.3026(4) 0.0408(15) Uani 1 1 d . . . . .
C14 C 1.2777(4) 0.2023(4) -0.2793(4) 0.0456(17) Uani 1 1 d . . . . .
H14A H 1.3233 0.1985 -0.2621 0.055 Uiso 1 1 calc R U . . .
C15 C 1.2339(4) 0.2643(4) -0.2811(4) 0.0382(14) Uani 1 1 d . . . . .
H15A H 1.2500 0.3025 -0.2651 0.046 Uiso 1 1 calc R U . . .
C16 C 1.3736(7) 0.0940(7) -0.3344(12) 0.201(12) Uani 1 1 d . . . . .
H16A H 1.3705 0.1144 -0.3854 0.301 Uiso 1 1 calc R U . . .
H16B H 1.4034 0.0490 -0.3270 0.301 Uiso 1 1 calc R U . . .
H16C H 1.3962 0.1299 -0.3174 0.301 Uiso 1 1 calc R U . . .
C17 C 1.3142(8) 0.0457(7) -0.2145(7) 0.110(5) Uani 1 1 d . . . . .
H17A H 1.3449 0.0014 -0.2089 0.164 Uiso 1 1 calc R U . . .
H17B H 1.2665 0.0335 -0.1848 0.164 Uiso 1 1 calc R U . . .
H17C H 1.3380 0.0825 -0.1998 0.164 Uiso 1 1 calc R U . . .
C18 C 1.2665(7) 0.0156(5) -0.3042(10) 0.127(6) Uani 1 1 d . . . . .
H18A H 1.2556 0.0264 -0.3531 0.190 Uiso 1 1 calc R U . . .
H18B H 1.2208 0.0061 -0.2708 0.190 Uiso 1 1 calc R U . . .
H18C H 1.2984 -0.0278 -0.2941 0.190 Uiso 1 1 calc R U . . .
C19 C 1.0548(3) 0.4289(3) -0.0532(3) 0.0299(12) Uani 1 1 d . . . . .
C20 C 0.9815(4) 0.4171(4) -0.0215(4) 0.0415(15) Uani 1 1 d . . . . .
H20A H 0.9436 0.4382 -0.0486 0.050 Uiso 1 1 calc R U . . .
C21 C 0.9634(4) 0.3746(4) 0.0493(4) 0.0436(16) Uani 1 1 d . . . . .
H21A H 0.9137 0.3662 0.0698 0.052 Uiso 1 1 calc R U . . .
C22 C 1.0185(4) 0.3450(4) 0.0891(3) 0.0388(14) Uani 1 1 d . . . . .
C23 C 1.0916(4) 0.3562(4) 0.0594(4) 0.0466(16) Uani 1 1 d . . . . .
H23A H 1.1291 0.3355 0.0870 0.056 Uiso 1 1 calc R U . . .
C24 C 1.1092(4) 0.3981(4) -0.0110(3) 0.0410(15) Uani 1 1 d . . . . .
H24A H 1.1591 0.4061 -0.0310 0.049 Uiso 1 1 calc R U . . .
C25 C 0.9212(6) 0.2944(6) 0.1940(5) 0.075(3) Uani 1 1 d . . . . .
H25A H 0.8970 0.2717 0.1649 0.112 Uiso 1 1 calc R U . . .
H25B H 0.9005 0.3436 0.1909 0.112 Uiso 1 1 calc R U . . .
H25C H 0.9134 0.2642 0.2438 0.112 Uiso 1 1 calc R U . . .
C26 C 1.0342(7) 0.2223(4) 0.1756(5) 0.076(3) Uani 1 1 d . . . . .
H26A H 1.0116 0.1984 0.1465 0.114 Uiso 1 1 calc R U . . .
H26B H 1.0246 0.1937 0.2258 0.114 Uiso 1 1 calc R U . . .
H26C H 1.0871 0.2253 0.1600 0.114 Uiso 1 1 calc R U . . .
C27 C 1.0387(6) 0.3355(5) 0.2135(4) 0.067(3) Uani 1 1 d . . . . .
H27A H 1.0190 0.3852 0.2088 0.100 Uiso 1 1 calc R U . . .
H27B H 1.0915 0.3377 0.1978 0.100 Uiso 1 1 calc R U . . .
H27C H 1.0288 0.3061 0.2634 0.100 Uiso 1 1 calc R U . . .
C28 C 1.1410(3) 0.6161(3) -0.3429(3) 0.0238(10) Uani 1 1 d . . . . .
C29 C 1.1916(3) 0.5804(3) -0.2976(3) 0.0332(13) Uani 1 1 d . . . . .
H29A H 1.1877 0.5291 -0.2753 0.040 Uiso 1 1 calc R U . . .
C30 C 1.2474(3) 0.6191(3) -0.2848(3) 0.0348(13) Uani 1 1 d . . . . .
H30A H 1.2799 0.5943 -0.2527 0.042 Uiso 1 1 calc R U . . .
C31 C 1.2558(3) 0.6939(3) -0.3188(3) 0.0282(11) Uani 1 1 d . . . . .
C32 C 1.2068(4) 0.7305(3) -0.3645(4) 0.0372(14) Uani 1 1 d . . . . .
H32A H 1.2117 0.7815 -0.3877 0.045 Uiso 1 1 calc R U . . .
C33 C 1.1504(3) 0.6912(3) -0.3758(3) 0.0306(12) Uani 1 1 d . . . . .
H33A H 1.1172 0.7164 -0.4070 0.037 Uiso 1 1 calc R U . . .
C34 C 1.2838(6) 0.7635(7) -0.2400(6) 0.096(4) Uani 1 1 d . . . . .
H34A H 1.2671 0.7220 -0.1989 0.144 Uiso 1 1 calc R U . . .
H34B H 1.2425 0.7967 -0.2525 0.144 Uiso 1 1 calc R U . . .
H34C H 1.3216 0.7900 -0.2280 0.144 Uiso 1 1 calc R U . . .
C35 C 1.3806(5) 0.6893(6) -0.2846(8) 0.102(5) Uani 1 1 d . . . . .
H35A H 1.3663 0.6461 -0.2445 0.154 Uiso 1 1 calc R U . . .
H35B H 1.4161 0.7177 -0.2717 0.154 Uiso 1 1 calc R U . . .
H35C H 1.4026 0.6736 -0.3263 0.154 Uiso 1 1 calc R U . . .
C36 C 1.3398(5) 0.8018(5) -0.3639(5) 0.074(3) Uani 1 1 d . . . . .
H36A H 1.3777 0.8275 -0.3511 0.111 Uiso 1 1 calc R U . . .
H36B H 1.2982 0.8351 -0.3748 0.111 Uiso 1 1 calc R U . . .
H36C H 1.3596 0.7854 -0.4058 0.111 Uiso 1 1 calc R U . . .
C37 C 1.1379(3) 0.7585(3) -0.6183(3) 0.0293(12) Uani 1 1 d . . . . .
C38 C 1.1936(4) 0.7472(4) -0.5762(4) 0.0437(16) Uani 1 1 d . . . . .
H38A H 1.1907 0.7069 -0.5343 0.052 Uiso 1 1 calc R U . . .
C39 C 1.2542(4) 0.7942(4) -0.5940(4) 0.0508(19) Uani 1 1 d . . . . .
H39A H 1.2917 0.7855 -0.5646 0.061 Uiso 1 1 calc R U . . .
C40 C 1.2585(3) 0.8531(4) -0.6549(4) 0.0423(16) Uani 1 1 d . . . . .
C41 C 1.2028(5) 0.8675(5) -0.6957(5) 0.070(3) Uani 1 1 d . . . . .
H41A H 1.2049 0.9091 -0.7363 0.084 Uiso 1 1 calc R U . . .
C42 C 1.1431(4) 0.8206(4) -0.6770(5) 0.059(2) Uani 1 1 d . . . . .
H42A H 1.1047 0.8314 -0.7053 0.071 Uiso 1 1 calc R U . . .
C43 C 1.3122(10) 0.9732(10) -0.7293(14) 0.103(4) Uani 0.657(13) 1 d . . P B 1
H43A H 1.2846 1.0068 -0.7053 0.154 Uiso 0.657(13) 1 calc R U P B 1
H43B H 1.2845 0.9646 -0.7645 0.154 Uiso 0.657(13) 1 calc R U P B 1
H43C H 1.3594 0.9948 -0.7534 0.154 Uiso 0.657(13) 1 calc R U P B 1
C44 C 1.3418(10) 0.9232(11) -0.6107(12) 0.103(4) Uani 0.657(13) 1 d . . P B 1
H44A H 1.2999 0.9115 -0.5727 0.154 Uiso 0.657(13) 1 calc R U P B 1
H44B H 1.3519 0.9758 -0.6237 0.154 Uiso 0.657(13) 1 calc R U P B 1
H44C H 1.3848 0.8951 -0.5940 0.154 Uiso 0.657(13) 1 calc R U P B 1
C45 C 1.3887(9) 0.8636(10) -0.7024(13) 0.103(4) Uani 0.657(13) 1 d . . P B 1
H45A H 1.4117 0.8343 -0.6618 0.154 Uiso 0.657(13) 1 calc R U P B 1
H45B H 1.4239 0.8991 -0.7347 0.154 Uiso 0.657(13) 1 calc R U P B 1
H45C H 1.3733 0.8312 -0.7280 0.154 Uiso 0.657(13) 1 calc R U P B 1
C43A C 1.2955(19) 0.982(2) -0.679(3) 0.103(4) Uani 0.343(13) 1 d . . P B 2
H43D H 1.2739 0.9829 -0.6305 0.154 Uiso 0.343(13) 1 calc R U P B 2
H43E H 1.2584 0.9955 -0.7106 0.154 Uiso 0.343(13) 1 calc R U P B 2
H43F H 1.3361 1.0162 -0.6962 0.154 Uiso 0.343(13) 1 calc R U P B 2
C44A C 1.3767(19) 0.884(2) -0.626(3) 0.103(4) Uani 0.343(13) 1 d . . P B 2
H44D H 1.3526 0.8866 -0.5793 0.154 Uiso 0.343(13) 1 calc R U P B 2
H44E H 1.4170 0.9193 -0.6428 0.154 Uiso 0.343(13) 1 calc R U P B 2
H44F H 1.3958 0.8347 -0.6231 0.154 Uiso 0.343(13) 1 calc R U P B 2
C45A C 1.3556(18) 0.906(2) -0.758(2) 0.103(4) Uani 0.343(13) 1 d . . P B 2
H45D H 1.3212 0.8824 -0.7768 0.154 Uiso 0.343(13) 1 calc R U P B 2
H45E H 1.4030 0.8806 -0.7593 0.154 Uiso 0.343(13) 1 calc R U P B 2
H45F H 1.3617 0.9575 -0.7862 0.154 Uiso 0.343(13) 1 calc R U P B 2
C46 C 1.1410(3) 0.3827(3) -0.5588(3) 0.0249(11) Uani 1 1 d . . . . .
C47 C 1.1475(4) 0.3797(4) -0.6294(4) 0.0375(14) Uani 1 1 d . . . . .
H47A H 1.1189 0.4121 -0.6612 0.045 Uiso 1 1 calc R U . . .
C48 C 1.1950(4) 0.3302(4) -0.6540(4) 0.0438(16) Uani 1 1 d . . . . .
H48A H 1.1990 0.3295 -0.7022 0.053 Uiso 1 1 calc R U . . .
C49 C 1.2366(4) 0.2819(4) -0.6079(4) 0.0436(16) Uani 1 1 d . . . . .
C50 C 1.2295(4) 0.2821(4) -0.5371(4) 0.0506(19) Uani 1 1 d . . . . .
H50A H 1.2572 0.2484 -0.5052 0.061 Uiso 1 1 calc R U . . .
C51 C 1.1817(4) 0.3319(4) -0.5129(4) 0.0401(15) Uani 1 1 d . . . . .
H51A H 1.1767 0.3313 -0.4642 0.048 Uiso 1 1 calc R U . . .
C52 C 1.3484(9) 0.2735(8) -0.6850(12) 0.205(12) Uani 1 1 d . . . . .
H52A H 1.3722 0.3009 -0.6597 0.307 Uiso 1 1 calc R U . . .
H52B H 1.3283 0.3079 -0.7250 0.307 Uiso 1 1 calc R U . . .
H52C H 1.3842 0.2409 -0.7030 0.307 Uiso 1 1 calc R U . . .
C53 C 1.3212(7) 0.1726(7) -0.5790(7) 0.104(4) Uani 1 1 d . . . . .
H53A H 1.3492 0.1961 -0.5534 0.156 Uiso 1 1 calc R U . . .
H53B H 1.3535 0.1396 -0.6002 0.156 Uiso 1 1 calc R U . . .
H53C H 1.2812 0.1444 -0.5456 0.156 Uiso 1 1 calc R U . . .
C54 C 1.2505(7) 0.1855(8) -0.6716(8) 0.107(5) Uani 1 1 d . . . . .
H54A H 1.2283 0.2185 -0.7110 0.161 Uiso 1 1 calc R U . . .
H54B H 1.2123 0.1567 -0.6362 0.161 Uiso 1 1 calc R U . . .
H54C H 1.2854 0.1524 -0.6899 0.161 Uiso 1 1 calc R U . . .
C55 C 1.0802(4) 0.2464(4) -0.0645(4) 0.0482(17) Uani 1 1 d . . . . .
H55A H 1.0383 0.2775 -0.0679 0.058 Uiso 1 1 calc R U . . .
C56 C 1.0716(5) 0.1754(4) -0.0193(4) 0.0517(19) Uani 1 1 d . . . . .
H56A H 1.0252 0.1588 0.0067 0.062 Uiso 1 1 calc R U . . .
C57 C 1.1338(4) 0.1283(4) -0.0130(4) 0.0470(17) Uani 1 1 d . . . . .
C58 C 1.1995(5) 0.1577(4) -0.0519(5) 0.059(2) Uani 1 1 d . . . . .
H58A H 1.2429 0.1286 -0.0490 0.070 Uiso 1 1 calc R U . . .
C59 C 1.2018(5) 0.2301(4) -0.0955(4) 0.054(2) Uani 1 1 d . . . . .
H59A H 1.2477 0.2491 -0.1207 0.065 Uiso 1 1 calc R U . . .
C60 C 1.1297(5) 0.0505(4) 0.0308(4) 0.058(2) Uani 1 1 d . . . . .
H60A H 1.1744 0.0248 0.0387 0.069 Uiso 1 1 calc R U . . .
C61 C 1.1116(5) -0.1825(4) 0.1596(4) 0.0527(19) Uani 1 1 d . . . . .
H61A H 1.1532 -0.2135 0.1683 0.063 Uiso 1 1 calc R U . . .
C62 C 1.1225(5) -0.1104(4) 0.1177(5) 0.058(2) Uani 1 1 d . . . . .
H62A H 1.1706 -0.0930 0.0988 0.069 Uiso 1 1 calc R U . . .
C63 C 1.0618(5) -0.0636(4) 0.1037(4) 0.0504(18) Uani 1 1 d . . . . .
C64 C 0.9931(5) -0.0933(4) 0.1332(5) 0.054(2) Uani 1 1 d . . . . .
H64A H 0.9505 -0.0638 0.1249 0.065 Uiso 1 1 calc R U . . .
C65 C 0.9865(4) -0.1664(4) 0.1750(4) 0.0481(17) Uani 1 1 d . . . . .
H65A H 0.9390 -0.1853 0.1946 0.058 Uiso 1 1 calc R U . . .
C66 C 1.0684(5) 0.0142(4) 0.0595(4) 0.058(2) Uani 1 1 d . . . . .
H66A H 1.0240 0.0405 0.0511 0.070 Uiso 1 1 calc R U . . .
C67 C 1.2899(3) 0.4238(4) -0.4097(4) 0.0460(17) Uani 1 1 d . . . . .
H67A H 1.2651 0.3786 -0.3996 0.055 Uiso 1 1 calc R U . . .
C68 C 1.3632(3) 0.4211(4) -0.4017(5) 0.0487(18) Uani 1 1 d . . . . .
H68A H 1.3878 0.3753 -0.3874 0.058 Uiso 1 1 calc R U . . .
C69 C 1.4007(3) 0.4875(4) -0.4151(4) 0.0439(16) Uani 1 1 d . . . . .
C70 C 1.3605(4) 0.5529(4) -0.4381(4) 0.0452(16) Uani 1 1 d . . . . .
H70A H 1.3835 0.5990 -0.4487 0.054 Uiso 1 1 calc R U . . .
C71 C 1.2877(3) 0.5499(4) -0.4452(4) 0.0405(15) Uani 1 1 d . . . . .
H71A H 1.2619 0.5948 -0.4608 0.049 Uiso 1 1 calc R U . . .
C72 C 1.4785(3) 0.4893(4) -0.4066(4) 0.0475(18) Uani 1 1 d . . . . .
H72A H 1.5022 0.5355 -0.4239 0.057 Uiso 1 1 calc R U . . .
C73 C 1.7144(4) 0.4890(4) -0.3944(4) 0.0441(16) Uani 1 1 d . . . . .
H73A H 1.7425 0.5324 -0.4124 0.053 Uiso 1 1 calc R U . . .
C74 C 1.6400(3) 0.4949(4) -0.3960(4) 0.0449(17) Uani 1 1 d . . . . .
H74A H 1.6181 0.5415 -0.4144 0.054 Uiso 1 1 calc R U . . .
C75 C 1.5969(3) 0.4318(4) -0.3703(4) 0.0423(15) Uani 1 1 d . . . . .
C76 C 1.6329(4) 0.3659(4) -0.3390(5) 0.0497(18) Uani 1 1 d . . . . .
H76A H 1.6059 0.3220 -0.3178 0.060 Uiso 1 1 calc R U . . .
C77 C 1.7078(4) 0.3654(4) -0.3395(4) 0.0469(17) Uani 1 1 d . . . . .
H77A H 1.7309 0.3205 -0.3182 0.056 Uiso 1 1 calc R U . . .
C78 C 1.5180(4) 0.4310(4) -0.3766(5) 0.0516(19) Uani 1 1 d . . . . .
H78A H 1.4937 0.3853 -0.3578 0.062 Uiso 1 1 calc R U . . .
C79 C 1.3297(5) 0.4190(5) -0.2072(6) 0.066(2) Uani 1 1 d D . . . .
C80 C 1.4061(7) 0.4361(10) -0.2120(9) 0.131(6) Uani 1 1 d D . . . .
H80A H 1.4369 0.4024 -0.2335 0.197 Uiso 1 1 calc R U . . .
H80B H 1.4177 0.4308 -0.1641 0.197 Uiso 1 1 calc R U . . .
H80C H 1.4152 0.4867 -0.2415 0.197 Uiso 1 1 calc R U . . .
C90 C 0.9732(14) -0.1937(9) -0.3597(8) 0.195(12) Uani 1 1 d D . . . .
H90A H 0.9293 -0.2193 -0.3313 0.293 Uiso 1 1 calc R U . . .
H90B H 0.9769 -0.1468 -0.3491 0.293 Uiso 1 1 calc R U . . .
H90C H 1.0165 -0.2240 -0.3478 0.293 Uiso 1 1 calc R U . . .
C91 C 0.9692(10) -0.1813(8) -0.4282(11) 0.130(6) Uani 1 1 d D . . . .
O1 O 0.7603(6) 0.4018(6) 0.0990(6) 0.131(4) Uani 1 1 d D . . . .
N12 N 0.7317(6) 0.5036(6) 0.0091(8) 0.120(5) Uani 1 1 d D . . . .
C81 C 0.7597(10) 0.5276(12) -0.0689(10) 0.171(9) Uani 1 1 d D . . . .
H81A H 0.8084 0.5062 -0.0776 0.257 Uiso 1 1 calc R U . . .
H81B H 0.7626 0.5813 -0.0852 0.257 Uiso 1 1 calc R U . . .
H81C H 0.7264 0.5110 -0.0951 0.257 Uiso 1 1 calc R U . . .
C82 C 0.6787(10) 0.5522(14) 0.0301(10) 0.214(13) Uani 1 1 d D . . . .
H82A H 0.6736 0.5435 0.0818 0.321 Uiso 1 1 calc R U . . .
H82B H 0.6317 0.5440 0.0168 0.321 Uiso 1 1 calc R U . . .
H82C H 0.6939 0.6029 0.0062 0.321 Uiso 1 1 calc R U . . .
C83 C 0.7616(11) 0.4485(9) 0.0460(13) 0.29(2) Uani 1 1 d D . . . .
H83 H 0.8061 0.4416 0.0174 0.343 Uiso 1 1 calc R U . . .
O2 O 1.2226(7) 0.2741(7) 0.1536(7) 0.151(5) Uani 1 1 d D . . . .
N13 N 1.3105(6) 0.2071(8) 0.1038(6) 0.110(4) Uani 1 1 d D . . . .
C84 C 1.3343(12) 0.1350(11) 0.0883(11) 0.185(10) Uani 1 1 d D . . . .
H84A H 1.3800 0.1180 0.1074 0.277 Uiso 1 1 calc R U . . .
H84B H 1.3420 0.1422 0.0367 0.277 Uiso 1 1 calc R U . . .
H84C H 1.2963 0.0983 0.1109 0.277 Uiso 1 1 calc R U . . .
C85 C 1.3677(11) 0.2578(10) 0.0822(11) 0.178(9) Uani 1 1 d D . . . .
H85A H 1.3759 0.2761 0.0300 0.267 Uiso 1 1 calc R U . . .
H85B H 1.4124 0.2337 0.0990 0.267 Uiso 1 1 calc R U . . .
H85C H 1.3548 0.2989 0.1024 0.267 Uiso 1 1 calc R U . . .
C86 C 1.2460(8) 0.2169(11) 0.1349(9) 0.183(12) Uani 1 1 d D . . . .
H86 H 1.2125 0.1779 0.1450 0.220 Uiso 1 1 calc R U . . .
O3 O 1.1645(9) 0.0562(11) 0.2278(12) 0.251(12) Uani 1 1 d D . . . .
N14 N 1.0542(8) 0.0218(7) 0.2852(7) 0.114(4) Uani 1 1 d D . . . .
C87 C 0.9772(10) 0.0063(16) 0.2839(13) 0.222(12) Uani 1 1 d D . . . .
H87A H 0.9658 0.0259 0.2352 0.332 Uiso 1 1 calc R U . . .
H87B H 0.9452 0.0296 0.3158 0.332 Uiso 1 1 calc R U . . .
H87C H 0.9697 -0.0469 0.3000 0.332 Uiso 1 1 calc R U . . .
C88 C 1.0753(13) 0.0121(14) 0.3531(10) 0.211(12) Uani 1 1 d D . . . .
H88A H 1.0868 -0.0398 0.3740 0.317 Uiso 1 1 calc R U . . .
H88B H 1.0352 0.0277 0.3843 0.317 Uiso 1 1 calc R U . . .
H88C H 1.1186 0.0416 0.3481 0.317 Uiso 1 1 calc R U . . .
C89 C 1.1009(11) 0.0415(9) 0.2276(8) 0.153(9) Uani 1 1 d D . . . .
H89 H 1.0852 0.0447 0.1833 0.183 Uiso 1 1 calc R U . . .


_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 N7 2.363(5) . ?
Ag1 S2 2.4899(16) . ?
Ag1 N11 2.499(7) . ?
Ag1 S3 2.5201(16) . ?
Ag1 Ag6 2.9269(8) . ?
Ag2 S5 2.4302(14) . ?
Ag2 S4 2.4382(14) . ?
Ag2 S6 2.6415(13) 2_764 ?
Ag2 Ag4 2.9942(7) . ?
Ag2 Ag5 3.0205(7) . ?
Ag3 N8 2.338(5) 2_755 ?
Ag3 S2 2.5173(15) . ?
Ag3 S1 2.5448(17) . ?
Ag3 S5 2.8428(15) 2_764 ?
Ag3 Ag5 3.1814(7) 2_764 ?
Ag3 Ag6 3.1981(8) . ?
Ag4 N9 2.356(5) . ?
Ag4 S6 2.4998(14) . ?
Ag4 S4 2.5761(14) . ?
Ag4 S2 2.7196(15) . ?
Ag5 N10 2.354(5) 2_864 ?
Ag5 S6 2.5342(14) . ?
Ag5 S5 2.5692(15) . ?
Ag5 S1 2.7342(16) 2_764 ?
Ag5 Ag3 3.1814(7) 2_764 ?
Ag6 S1 2.3899(17) . ?
Ag6 S3 2.3956(16) . ?
Ag6 S4 2.9358(15) . ?
S1 C1 1.781(6) . ?
S1 Ag5 2.7343(16) 2_764 ?
S2 C10 1.777(6) . ?
S3 C19 1.765(6) . ?
S4 C28 1.775(5) . ?
S5 C37 1.770(6) . ?
S5 Ag3 2.8429(15) 2_764 ?
S6 C46 1.776(5) . ?
S6 Ag2 2.6415(13) 2_764 ?
P1 F5 1.478(10) . ?
P1 F4 1.519(11) . ?
P1 F1 1.548(9) . ?
P1 F2 1.568(10) . ?
P1 F3 1.586(7) . ?
P1 F6 1.586(8) . ?
P2 F11 1.507(13) . ?
P2 F8 1.535(12) . ?
P2 F12 1.546(9) . ?
P2 F9 1.547(9) . ?
P2 F10 1.556(19) . ?
P2 F7 1.632(15) . ?
P3 F16 1.515(9) . ?
P3 F15 1.515(10) . ?
P3 F14 1.529(9) . ?
P3 F18 1.540(11) . ?
P3 F17 1.544(10) . ?
P3 F13 1.546(8) . ?
P4 F24 1.547(8) . ?
P4 F20 1.553(10) . ?
P4 F19 1.564(8) . ?
P4 F21 1.565(8) . ?
P4 F23 1.568(9) . ?
P4 F22 1.583(8) . ?
P5 F28 1.499(10) . ?
P5 F30 1.520(7) . ?
P5 F25 1.529(10) . ?
P5 F27 1.531(7) . ?
P5 F26 1.564(6) . ?
P5 F29 1.565(6) . ?
P6 F32 1.535(8) . ?
P6 F31 1.540(9) . ?
P6 F34 1.544(7) . ?
P6 F35 1.552(8) . ?
P6 F36 1.591(6) . ?
P6 F33 1.600(6) . ?
N1 C8A 1.42(2) . ?
N1 C7 1.45(2) . ?
N1 C4 1.501(9) . ?
N1 C9A 1.51(2) . ?
N1 C9 1.53(2) . ?
N1 C7A 1.55(3) . ?
N1 C8 1.58(3) . ?
N2 C16 1.396(13) . ?
N2 C18 1.437(12) . ?
N2 C13 1.496(8) . ?
N2 C17 1.582(14) . ?
N3 C25 1.495(12) . ?
N3 C22 1.509(8) . ?
N3 C26 1.518(10) . ?
N3 C27 1.520(11) . ?
N4 C35 1.476(10) . ?
N4 C34 1.477(10) . ?
N4 C31 1.500(7) . ?
N4 C36 1.500(10) . ?
N5 C44A 1.44(4) . ?
N5 C43 1.45(2) . ?
N5 C45 1.46(2) . ?
N5 C40 1.502(8) . ?
N5 C44 1.52(2) . ?
N5 C43A 1.53(4) . ?
N5 C45A 1.59(4) . ?
N6 C52 1.422(15) . ?
N6 C53 1.489(13) . ?
N6 C54 1.504(13) . ?
N6 C49 1.504(8) . ?
N7 C55 1.323(9) . ?
N7 C59 1.323(10) . ?
N8 C65 1.328(10) . ?
N8 C61 1.344(10) . ?
N8 Ag3 2.338(5) 2_755 ?
N9 C71 1.330(8) . ?
N9 C67 1.339(9) . ?
N10 C77 1.328(9) . ?
N10 C73 1.330(9) . ?
N10 Ag5 2.354(5) 2_864 ?
N11 C79 1.111(10) . ?
N15 C91 1.31(2) . ?
C1 C6 1.375(9) . ?
C1 C2 1.386(9) . ?
C2 C3 1.401(10) . ?
C2 H2A 0.9400 . ?
C3 C4 1.382(10) . ?
C3 H3A 0.9400 . ?
C4 C5 1.380(10) . ?
C5 C6 1.382(9) . ?
C5 H5A 0.9400 . ?
C6 H6A 0.9400 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C7A H7AA 0.9700 . ?
C7A H7AB 0.9700 . ?
C7A H7AC 0.9700 . ?
C8A H8AA 0.9700 . ?
C8A H8AB 0.9700 . ?
C8A H8AC 0.9700 . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9A H9AC 0.9700 . ?
C10 C11 1.384(8) . ?
C10 C15 1.387(9) . ?
C11 C12 1.386(9) . ?
C11 H11A 0.9400 . ?
C12 C13 1.382(10) . ?
C12 H12A 0.9400 . ?
C13 C14 1.374(10) . ?
C14 C15 1.374(9) . ?
C14 H14A 0.9400 . ?
C15 H15A 0.9400 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 C24 1.388(9) . ?
C19 C20 1.391(9) . ?
C20 C21 1.387(10) . ?
C20 H20A 0.9400 . ?
C21 C22 1.368(10) . ?
C21 H21A 0.9400 . ?
C22 C23 1.377(10) . ?
C23 C24 1.376(9) . ?
C23 H23A 0.9400 . ?
C24 H24A 0.9400 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 H25C 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C28 C33 1.382(8) . ?
C28 C29 1.395(8) . ?
C29 C30 1.379(8) . ?
C29 H29A 0.9400 . ?
C30 C31 1.380(8) . ?
C30 H30A 0.9400 . ?
C31 C32 1.382(9) . ?
C32 C33 1.384(8) . ?
C32 H32A 0.9400 . ?
C33 H33A 0.9400 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 H34C 0.9700 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 H35C 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C37 C38 1.380(9) . ?
C37 C42 1.380(9) . ?
C38 C39 1.396(9) . ?
C38 H38A 0.9400 . ?
C39 C40 1.371(10) . ?
C39 H39A 0.9400 . ?
C40 C41 1.361(11) . ?
C41 C42 1.380(10) . ?
C41 H41A 0.9400 . ?
C42 H42A 0.9400 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 H44C 0.9700 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 H45C 0.9700 . ?
C43A H43D 0.9700 . ?
C43A H43E 0.9700 . ?
C43A H43F 0.9700 . ?
C44A H44D 0.9700 . ?
C44A H44E 0.9700 . ?
C44A H44F 0.9700 . ?
C45A H45D 0.9700 . ?
C45A H45E 0.9700 . ?
C45A H45F 0.9700 . ?
C46 C51 1.383(9) . ?
C46 C47 1.386(8) . ?
C47 C48 1.376(9) . ?
C47 H47A 0.9400 . ?
C48 C49 1.373(10) . ?
C48 H48A 0.9400 . ?
C49 C50 1.373(10) . ?
C50 C51 1.382(9) . ?
C50 H50A 0.9400 . ?
C51 H51A 0.9400 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 H52C 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 H53C 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 H54C 0.9700 . ?
C55 C56 1.377(10) . ?
C55 H55A 0.9400 . ?
C56 C57 1.404(11) . ?
C56 H56A 0.9400 . ?
C57 C58 1.373(11) . ?
C57 C60 1.469(9) . ?
C58 C59 1.384(10) . ?
C58 H58A 0.9400 . ?
C59 H59A 0.9400 . ?
C60 C66 1.310(12) . ?
C60 H60A 0.9400 . ?
C61 C62 1.376(10) . ?
C61 H61A 0.9400 . ?
C62 C63 1.392(12) . ?
C62 H62A 0.9400 . ?
C63 C64 1.379(11) . ?
C63 C66 1.472(10) . ?
C64 C65 1.386(10) . ?
C64 H64A 0.9400 . ?
C65 H65A 0.9400 . ?
C66 H66A 0.9400 . ?
C67 C68 1.374(9) . ?
C67 H67A 0.9400 . ?
C68 C69 1.397(9) . ?
C68 H68A 0.9400 . ?
C69 C70 1.394(10) . ?
C69 C72 1.465(8) . ?
C70 C71 1.370(9) . ?
C70 H70A 0.9400 . ?
C71 H71A 0.9400 . ?
C72 C78 1.322(11) . ?
C72 H72A 0.9400 . ?
C73 C74 1.367(9) . ?
C73 H73A 0.9400 . ?
C74 C75 1.387(9) . ?
C74 H74A 0.9400 . ?
C75 C76 1.394(10) . ?
C75 C78 1.472(9) . ?
C76 C77 1.371(9) . ?
C76 H76A 0.9400 . ?
C77 H77A 0.9400 . ?
C78 H78A 0.9400 . ?
C79 C80 1.437(12) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C80 H80C 0.9700 . ?
C90 C91 1.307(16) . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?
C90 H90C 0.9700 . ?
O1 C83 1.150(14) . ?
N12 C83 1.236(12) . ?
N12 C82 1.395(16) . ?
N12 C81 1.479(16) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C81 H81C 0.9700 . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C82 H82C 0.9700 . ?
C83 H83 0.9400 . ?
O2 C86 1.268(18) . ?
N13 C86 1.272(14) . ?
N13 C85 1.389(15) . ?
N13 C84 1.502(16) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C84 H84C 0.9700 . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C85 H85C 0.9700 . ?
C86 H86 0.9400 . ?
O3 C89 1.214(18) . ?
N14 C89 1.278(15) . ?
N14 C88 1.401(15) . ?
N14 C87 1.462(16) . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?
C87 H87C 0.9700 . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C88 H88C 0.9700 . ?
C89 H89 0.9400 . ?

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
N7 Ag1 S2 108.51(16) . . ?
N7 Ag1 N11 90.8(2) . . ?
S2 Ag1 N11 110.1(2) . . ?
N7 Ag1 S3 107.94(16) . . ?
S2 Ag1 S3 131.29(5) . . ?
N11 Ag1 S3 100.56(18) . . ?
N7 Ag1 Ag6 121.97(15) . . ?
S2 Ag1 Ag6 81.78(4) . . ?
N11 Ag1 Ag6 140.51(18) . . ?
S3 Ag1 Ag6 51.52(4) . . ?
S5 Ag2 S4 156.97(5) . . ?
S5 Ag2 S6 103.21(5) . 2_764 ?
S4 Ag2 S6 99.19(4) . 2_764 ?
S5 Ag2 Ag4 127.71(4) . . ?
S4 Ag2 Ag4 55.48(3) . . ?
S6 Ag2 Ag4 92.94(3) 2_764 . ?
S5 Ag2 Ag5 54.96(4) . . ?
S4 Ag2 Ag5 127.91(4) . . ?
S6 Ag2 Ag5 95.99(3) 2_764 . ?
Ag4 Ag2 Ag5 74.301(17) . . ?
N8 Ag3 S2 109.93(17) 2_755 . ?
N8 Ag3 S1 117.86(16) 2_755 . ?
S2 Ag3 S1 118.08(5) . . ?
N8 Ag3 S5 101.56(16) 2_755 2_764 ?
S2 Ag3 S5 101.81(5) . 2_764 ?
S1 Ag3 S5 104.55(5) . 2_764 ?
N8 Ag3 Ag5 131.85(17) 2_755 2_764 ?
S2 Ag3 Ag5 113.41(4) . 2_764 ?
S1 Ag3 Ag5 55.71(4) . 2_764 ?
S5 Ag3 Ag5 50.10(3) 2_764 2_764 ?
N8 Ag3 Ag6 119.12(16) 2_755 . ?
S2 Ag3 Ag6 76.05(4) . . ?
S1 Ag3 Ag6 47.52(4) . . ?
S5 Ag3 Ag6 137.71(3) 2_764 . ?
Ag5 Ag3 Ag6 91.212(19) 2_764 . ?
N9 Ag4 S6 115.02(15) . . ?
N9 Ag4 S4 104.55(14) . . ?
S6 Ag4 S4 127.40(4) . . ?
N9 Ag4 S2 95.62(14) . . ?
S6 Ag4 S2 111.92(5) . . ?
S4 Ag4 S2 96.45(4) . . ?
N9 Ag4 Ag2 113.55(14) . . ?
S6 Ag4 Ag2 80.93(3) . . ?
S4 Ag4 Ag2 51.25(3) . . ?
S2 Ag4 Ag2 139.93(4) . . ?
N10 Ag5 S6 106.68(14) 2_864 . ?
N10 Ag5 S5 115.33(14) 2_864 . ?
S6 Ag5 S5 125.72(5) . . ?
N10 Ag5 S1 92.73(14) 2_864 2_764 ?
S6 Ag5 S1 103.52(5) . 2_764 ?
S5 Ag5 S1 107.04(5) . 2_764 ?
N10 Ag5 Ag2 118.49(14) 2_864 . ?
S6 Ag5 Ag2 79.87(3) . . ?
S5 Ag5 Ag2 50.76(3) . . ?
S1 Ag5 Ag2 146.60(4) 2_764 . ?
N10 Ag5 Ag3 122.14(14) 2_864 2_764 ?
S6 Ag5 Ag3 122.59(3) . 2_764 ?
S5 Ag5 Ag3 58.09(3) . 2_764 ?
S1 Ag5 Ag3 50.26(4) 2_764 2_764 ?
Ag2 Ag5 Ag3 99.472(19) . 2_764 ?
S1 Ag6 S3 161.02(6) . . ?
S1 Ag6 Ag1 128.73(4) . . ?
S3 Ag6 Ag1 55.44(4) . . ?
S1 Ag6 S4 99.82(5) . . ?
S3 Ag6 S4 98.53(5) . . ?
Ag1 Ag6 S4 91.13(3) . . ?
S1 Ag6 Ag3 51.75(4) . . ?
S3 Ag6 Ag3 129.73(4) . . ?
Ag1 Ag6 Ag3 77.219(19) . . ?
S4 Ag6 Ag3 98.27(3) . . ?
C1 S1 Ag6 113.9(2) . . ?
C1 S1 Ag3 106.7(2) . . ?
Ag6 S1 Ag3 80.73(5) . . ?
C1 S1 Ag5 119.3(2) . 2_764 ?
Ag6 S1 Ag5 125.51(6) . 2_764 ?
Ag3 S1 Ag5 74.02(4) . 2_764 ?
C10 S2 Ag1 104.1(2) . . ?
C10 S2 Ag3 113.8(2) . . ?
Ag1 S2 Ag3 99.72(5) . . ?
C10 S2 Ag4 121.5(2) . . ?
Ag1 S2 Ag4 110.47(5) . . ?
Ag3 S2 Ag4 105.11(5) . . ?
C19 S3 Ag6 108.9(2) . . ?
C19 S3 Ag1 98.70(19) . . ?
Ag6 S3 Ag1 73.03(4) . . ?
C28 S4 Ag2 107.41(18) . . ?
C28 S4 Ag4 106.25(18) . . ?
Ag2 S4 Ag4 73.27(4) . . ?
C28 S4 Ag6 111.81(18) . . ?
Ag2 S4 Ag6 140.11(5) . . ?
Ag4 S4 Ag6 101.87(5) . . ?
C37 S5 Ag2 112.5(2) . . ?
C37 S5 Ag5 102.5(2) . . ?
Ag2 S5 Ag5 74.28(4) . . ?
C37 S5 Ag3 113.1(2) . 2_764 ?
Ag2 S5 Ag3 127.54(5) . 2_764 ?
Ag5 S5 Ag3 71.81(4) . 2_764 ?
C46 S6 Ag4 110.30(19) . . ?
C46 S6 Ag5 107.45(18) . . ?
Ag4 S6 Ag5 92.37(4) . . ?
C46 S6 Ag2 96.96(17) . 2_764 ?
Ag4 S6 Ag2 122.69(5) . 2_764 ?
Ag5 S6 Ag2 126.63(5) . 2_764 ?
F5 P1 F4 100.7(11) . . ?
F5 P1 F1 92.4(11) . . ?
F4 P1 F1 166.9(9) . . ?
F5 P1 F2 173.3(10) . . ?
F4 P1 F2 85.1(8) . . ?
F1 P1 F2 81.8(7) . . ?
F5 P1 F3 88.5(6) . . ?
F4 P1 F3 91.6(6) . . ?
F1 P1 F3 88.5(5) . . ?
F2 P1 F3 88.0(5) . . ?
F5 P1 F6 93.7(7) . . ?
F4 P1 F6 90.5(6) . . ?
F1 P1 F6 88.9(5) . . ?
F2 P1 F6 89.5(6) . . ?
F3 P1 F6 176.6(5) . . ?
F11 P2 F8 176.9(13) . . ?
F11 P2 F12 89.2(8) . . ?
F8 P2 F12 90.7(8) . . ?
F11 P2 F9 90.6(7) . . ?
F8 P2 F9 89.6(6) . . ?
F12 P2 F9 179.5(12) . . ?
F11 P2 F10 86.4(11) . . ?
F8 P2 F10 90.5(11) . . ?
F12 P2 F10 91.7(8) . . ?
F9 P2 F10 88.6(8) . . ?
F11 P2 F7 95.3(12) . . ?
F8 P2 F7 87.7(6) . . ?
F12 P2 F7 87.3(7) . . ?
F9 P2 F7 92.3(8) . . ?
F10 P2 F7 178.0(11) . . ?
F16 P3 F15 89.8(8) . . ?
F16 P3 F14 88.7(7) . . ?
F15 P3 F14 86.4(8) . . ?
F16 P3 F18 92.8(8) . . ?
F15 P3 F18 175.6(10) . . ?
F14 P3 F18 90.1(8) . . ?
F16 P3 F17 94.1(7) . . ?
F15 P3 F17 94.6(9) . . ?
F14 P3 F17 177.0(7) . . ?
F18 P3 F17 88.8(8) . . ?
F16 P3 F13 178.0(8) . . ?
F15 P3 F13 89.4(7) . . ?
F14 P3 F13 93.0(7) . . ?
F18 P3 F13 88.1(7) . . ?
F17 P3 F13 84.2(6) . . ?
F24 P4 F20 91.2(7) . . ?
F24 P4 F19 89.8(5) . . ?
F20 P4 F19 91.8(7) . . ?
F24 P4 F21 179.1(6) . . ?
F20 P4 F21 89.6(7) . . ?
F19 P4 F21 89.7(5) . . ?
F24 P4 F23 89.2(6) . . ?
F20 P4 F23 179.2(7) . . ?
F19 P4 F23 87.5(5) . . ?
F21 P4 F23 90.0(6) . . ?
F24 P4 F22 90.2(5) . . ?
F20 P4 F22 89.9(7) . . ?
F19 P4 F22 178.3(6) . . ?
F21 P4 F22 90.3(5) . . ?
F23 P4 F22 90.8(6) . . ?
F28 P5 F30 88.0(9) . . ?
F28 P5 F25 176.8(9) . . ?
F30 P5 F25 94.5(9) . . ?
F28 P5 F27 94.9(9) . . ?
F30 P5 F27 177.1(8) . . ?
F25 P5 F27 82.6(8) . . ?
F28 P5 F26 91.1(7) . . ?
F30 P5 F26 88.6(4) . . ?
F25 P5 F26 90.9(7) . . ?
F27 P5 F26 91.4(4) . . ?
F28 P5 F29 90.6(6) . . ?
F30 P5 F29 89.9(4) . . ?
F25 P5 F29 87.4(6) . . ?
F27 P5 F29 90.0(4) . . ?
F26 P5 F29 177.7(6) . . ?
F32 P6 F31 90.9(8) . . ?
F32 P6 F34 90.9(7) . . ?
F31 P6 F34 178.2(8) . . ?
F32 P6 F35 179.5(8) . . ?
F31 P6 F35 89.6(8) . . ?
F34 P6 F35 88.6(6) . . ?
F32 P6 F36 90.0(4) . . ?
F31 P6 F36 90.9(4) . . ?
F34 P6 F36 88.9(4) . . ?
F35 P6 F36 90.1(4) . . ?
F32 P6 F33 90.9(4) . . ?
F31 P6 F33 88.9(4) . . ?
F34 P6 F33 91.2(4) . . ?
F35 P6 F33 89.0(4) . . ?
F36 P6 F33 179.1(4) . . ?
C8A N1 C4 109.6(12) . . ?
C7 N1 C4 113.2(10) . . ?
C8A N1 C9A 114.0(18) . . ?
C4 N1 C9A 107.2(10) . . ?
C7 N1 C9 108.0(15) . . ?
C4 N1 C9 114.1(10) . . ?
C8A N1 C7A 110.5(19) . . ?
C4 N1 C7A 110.1(10) . . ?
C9A N1 C7A 105.3(17) . . ?
C7 N1 C8 106.7(16) . . ?
C4 N1 C8 107.6(11) . . ?
C9 N1 C8 106.7(17) . . ?
C16 N2 C18 117.2(11) . . ?
C16 N2 C13 112.0(7) . . ?
C18 N2 C13 114.0(7) . . ?
C16 N2 C17 105.3(12) . . ?
C18 N2 C17 98.9(10) . . ?
C13 N2 C17 107.7(7) . . ?
C25 N3 C22 112.5(7) . . ?
C25 N3 C26 108.8(7) . . ?
C22 N3 C26 109.5(5) . . ?
C25 N3 C27 108.5(7) . . ?
C22 N3 C27 109.4(6) . . ?
C26 N3 C27 107.9(7) . . ?
C35 N4 C34 109.4(9) . . ?
C35 N4 C31 112.2(5) . . ?
C34 N4 C31 108.6(5) . . ?
C35 N4 C36 107.3(7) . . ?
C34 N4 C36 107.5(8) . . ?
C31 N4 C36 111.7(5) . . ?
C43 N5 C45 111.1(13) . . ?
C44A N5 C40 113.7(13) . . ?
C43 N5 C40 113.4(8) . . ?
C45 N5 C40 109.4(7) . . ?
C43 N5 C44 105.9(12) . . ?
C45 N5 C44 107.4(12) . . ?
C40 N5 C44 109.4(8) . . ?
C44A N5 C43A 107(2) . . ?
C40 N5 C43A 107.1(12) . . ?
C44A N5 C45A 116(2) . . ?
C40 N5 C45A 106.6(11) . . ?
C43A N5 C45A 106(2) . . ?
C52 N6 C53 109.9(11) . . ?
C52 N6 C54 113.0(13) . . ?
C53 N6 C54 102.7(9) . . ?
C52 N6 C49 108.5(7) . . ?
C53 N6 C49 112.7(7) . . ?
C54 N6 C49 109.9(7) . . ?
C55 N7 C59 116.1(6) . . ?
C55 N7 Ag1 117.3(5) . . ?
C59 N7 Ag1 125.3(5) . . ?
C65 N8 C61 117.2(6) . . ?
C65 N8 Ag3 118.4(5) . 2_755 ?
C61 N8 Ag3 123.9(5) . 2_755 ?
C71 N9 C67 117.0(5) . . ?
C71 N9 Ag4 126.4(4) . . ?
C67 N9 Ag4 115.9(4) . . ?
C77 N10 C73 116.9(5) . . ?
C77 N10 Ag5 124.7(5) . 2_864 ?
C73 N10 Ag5 118.0(4) . 2_864 ?
C79 N11 Ag1 175.4(8) . . ?
C6 C1 C2 118.4(6) . . ?
C6 C1 S1 124.1(5) . . ?
C2 C1 S1 117.5(5) . . ?
C1 C2 C3 121.0(6) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 119.0(7) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 N1 120.4(7) . . ?
C3 C4 N1 119.1(7) . . ?
C4 C5 C6 119.5(7) . . ?
C4 C5 H5A 120.3 . . ?
C6 C5 H5A 120.3 . . ?
C1 C6 C5 121.6(6) . . ?
C1 C6 H6A 119.2 . . ?
C5 C6 H6A 119.2 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C7A H7AA 109.5 . . ?
N1 C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
N1 C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
N1 C8A H8AA 109.5 . . ?
N1 C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
N1 C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
N1 C9A H9AA 109.5 . . ?
N1 C9A H9AB 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
N1 C9A H9AC 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C11 C10 C15 118.0(5) . . ?
C11 C10 S2 122.7(5) . . ?
C15 C10 S2 119.2(5) . . ?
C10 C11 C12 121.2(6) . . ?
C10 C11 H11A 119.4 . . ?
C12 C11 H11A 119.4 . . ?
C13 C12 C11 119.5(6) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C14 C13 C12 119.7(6) . . ?
C14 C13 N2 118.6(6) . . ?
C12 C13 N2 121.7(6) . . ?
C15 C14 C13 120.4(6) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C14 C15 C10 121.0(6) . . ?
C14 C15 H15A 119.5 . . ?
C10 C15 H15A 119.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 117.8(6) . . ?
C24 C19 S3 118.5(5) . . ?
C20 C19 S3 123.6(5) . . ?
C21 C20 C19 121.0(7) . . ?
C21 C20 H20A 119.5 . . ?
C19 C20 H20A 119.5 . . ?
C22 C21 C20 119.5(6) . . ?
C22 C21 H21A 120.2 . . ?
C20 C21 H21A 120.2 . . ?
C21 C22 C23 120.7(6) . . ?
C21 C22 N3 121.8(6) . . ?
C23 C22 N3 117.5(7) . . ?
C24 C23 C22 119.5(7) . . ?
C24 C23 H23A 120.2 . . ?
C22 C23 H23A 120.2 . . ?
C23 C24 C19 121.4(6) . . ?
C23 C24 H24A 119.3 . . ?
C19 C24 H24A 119.3 . . ?
N3 C25 H25A 109.5 . . ?
N3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 117.2(5) . . ?
C33 C28 S4 122.0(4) . . ?
C29 C28 S4 120.7(4) . . ?
C30 C29 C28 121.1(5) . . ?
C30 C29 H29A 119.4 . . ?
C28 C29 H29A 119.4 . . ?
C29 C30 C31 120.5(6) . . ?
C29 C30 H30A 119.8 . . ?
C31 C30 H30A 119.8 . . ?
C30 C31 C32 119.5(5) . . ?
C30 C31 N4 119.8(5) . . ?
C32 C31 N4 120.5(5) . . ?
C31 C32 C33 119.3(5) . . ?
C31 C32 H32A 120.4 . . ?
C33 C32 H32A 120.4 . . ?
C28 C33 C32 122.4(5) . . ?
C28 C33 H33A 118.8 . . ?
C32 C33 H33A 118.8 . . ?
N4 C34 H34A 109.5 . . ?
N4 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
N4 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C35 H35A 109.5 . . ?
N4 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N4 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N4 C36 H36A 109.5 . . ?
N4 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N4 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C42 116.7(6) . . ?
C38 C37 S5 124.6(5) . . ?
C42 C37 S5 118.7(5) . . ?
C37 C38 C39 121.7(6) . . ?
C37 C38 H38A 119.1 . . ?
C39 C38 H38A 119.1 . . ?
C40 C39 C38 119.2(6) . . ?
C40 C39 H39A 120.4 . . ?
C38 C39 H39A 120.4 . . ?
C41 C40 C39 120.3(6) . . ?
C41 C40 N5 119.4(6) . . ?
C39 C40 N5 120.2(6) . . ?
C40 C41 C42 119.6(7) . . ?
C40 C41 H41A 120.2 . . ?
C42 C41 H41A 120.2 . . ?
C41 C42 C37 122.3(7) . . ?
C41 C42 H42A 118.8 . . ?
C37 C42 H42A 118.8 . . ?
N5 C43 H43A 109.5 . . ?
N5 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N5 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N5 C44 H44A 109.5 . . ?
N5 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N5 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N5 C45 H45A 109.5 . . ?
N5 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N5 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N5 C43A H43D 109.5 . . ?
N5 C43A H43E 109.5 . . ?
H43D C43A H43E 109.5 . . ?
N5 C43A H43F 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
N5 C44A H44D 109.5 . . ?
N5 C44A H44E 109.5 . . ?
H44D C44A H44E 109.5 . . ?
N5 C44A H44F 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
N5 C45A H45D 109.5 . . ?
N5 C45A H45E 109.5 . . ?
H45D C45A H45E 109.5 . . ?
N5 C45A H45F 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C51 C46 C47 117.6(5) . . ?
C51 C46 S6 121.8(5) . . ?
C47 C46 S6 120.6(4) . . ?
C48 C47 C46 121.5(6) . . ?
C48 C47 H47A 119.3 . . ?
C46 C47 H47A 119.3 . . ?
C49 C48 C47 119.9(6) . . ?
C49 C48 H48A 120.1 . . ?
C47 C48 H48A 120.1 . . ?
C48 C49 C50 119.9(6) . . ?
C48 C49 N6 118.8(6) . . ?
C50 C49 N6 121.3(6) . . ?
C49 C50 C51 119.9(6) . . ?
C49 C50 H50A 120.1 . . ?
C51 C50 H50A 120.1 . . ?
C50 C51 C46 121.2(6) . . ?
C50 C51 H51A 119.4 . . ?
C46 C51 H51A 119.4 . . ?
N6 C52 H52A 109.5 . . ?
N6 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
N6 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N6 C53 H53A 109.5 . . ?
N6 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N6 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N6 C54 H54A 109.5 . . ?
N6 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N6 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N7 C55 C56 125.1(7) . . ?
N7 C55 H55A 117.5 . . ?
C56 C55 H55A 117.5 . . ?
C55 C56 C57 118.3(7) . . ?
C55 C56 H56A 120.9 . . ?
C57 C56 H56A 120.9 . . ?
C58 C57 C56 116.8(6) . . ?
C58 C57 C60 120.6(7) . . ?
C56 C57 C60 122.6(7) . . ?
C57 C58 C59 119.9(7) . . ?
C57 C58 H58A 120.0 . . ?
C59 C58 H58A 120.0 . . ?
N7 C59 C58 123.8(7) . . ?
N7 C59 H59A 118.1 . . ?
C58 C59 H59A 118.1 . . ?
C66 C60 C57 124.9(8) . . ?
C66 C60 H60A 117.5 . . ?
C57 C60 H60A 117.5 . . ?
N8 C61 C62 123.4(8) . . ?
N8 C61 H61A 118.3 . . ?
C62 C61 H61A 118.3 . . ?
C61 C62 C63 119.5(8) . . ?
C61 C62 H62A 120.3 . . ?
C63 C62 H62A 120.3 . . ?
C64 C63 C62 116.9(6) . . ?
C64 C63 C66 119.9(8) . . ?
C62 C63 C66 123.2(7) . . ?
C63 C64 C65 120.3(8) . . ?
C63 C64 H64A 119.9 . . ?
C65 C64 H64A 119.9 . . ?
N8 C65 C64 122.8(7) . . ?
N8 C65 H65A 118.6 . . ?
C64 C65 H65A 118.6 . . ?
C60 C66 C63 126.6(9) . . ?
C60 C66 H66A 116.7 . . ?
C63 C66 H66A 116.7 . . ?
N9 C67 C68 123.9(6) . . ?
N9 C67 H67A 118.1 . . ?
C68 C67 H67A 118.1 . . ?
C67 C68 C69 119.1(7) . . ?
C67 C68 H68A 120.5 . . ?
C69 C68 H68A 120.5 . . ?
C70 C69 C68 116.7(6) . . ?
C70 C69 C72 120.9(6) . . ?
C68 C69 C72 122.4(6) . . ?
C71 C70 C69 120.0(6) . . ?
C71 C70 H70A 120.0 . . ?
C69 C70 H70A 120.0 . . ?
N9 C71 C70 123.4(6) . . ?
N9 C71 H71A 118.3 . . ?
C70 C71 H71A 118.3 . . ?
C78 C72 C69 124.9(6) . . ?
C78 C72 H72A 117.6 . . ?
C69 C72 H72A 117.6 . . ?
N10 C73 C74 123.7(6) . . ?
N10 C73 H73A 118.1 . . ?
C74 C73 H73A 118.1 . . ?
C73 C74 C75 119.6(7) . . ?
C73 C74 H74A 120.2 . . ?
C75 C74 H74A 120.2 . . ?
C74 C75 C76 116.5(6) . . ?
C74 C75 C78 123.7(7) . . ?
C76 C75 C78 119.8(6) . . ?
C77 C76 C75 119.6(6) . . ?
C77 C76 H76A 120.2 . . ?
C75 C76 H76A 120.2 . . ?
N10 C77 C76 123.4(7) . . ?
N10 C77 H77A 118.3 . . ?
C76 C77 H77A 118.3 . . ?
C72 C78 C75 125.3(7) . . ?
C72 C78 H78A 117.3 . . ?
C75 C78 H78A 117.3 . . ?
N11 C79 C80 177.9(13) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C91 C90 H90A 109.5 . . ?
C91 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C91 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C90 C91 N15 166(2) . . ?
C83 N12 C82 130.0(19) . . ?
C83 N12 C81 117.0(18) . . ?
C82 N12 C81 112.8(13) . . ?
N12 C81 H81A 109.5 . . ?
N12 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
N12 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
N12 C82 H82A 109.5 . . ?
N12 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
N12 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
O1 C83 N12 149(3) . . ?
O1 C83 H83 105.5 . . ?
N12 C83 H83 105.5 . . ?
C86 N13 C85 126.6(17) . . ?
C86 N13 C84 122.0(16) . . ?
C85 N13 C84 111.4(14) . . ?
N13 C84 H84A 109.5 . . ?
N13 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
N13 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
N13 C85 H85A 109.5 . . ?
N13 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
N13 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
O2 C86 N13 126.2(18) . . ?
O2 C86 H86 116.9 . . ?
N13 C86 H86 116.9 . . ?
C89 N14 C88 121.2(16) . . ?
C89 N14 C87 122.2(15) . . ?
C88 N14 C87 116.6(15) . . ?
N14 C87 H87A 109.5 . . ?
N14 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
N14 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N14 C88 H88A 109.5 . . ?
N14 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
N14 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O3 C89 N14 122.8(19) . . ?
O3 C89 H89 118.6 . . ?
N14 C89 H89 118.6 . . ?

_refine_diff_density_max         1.776
_refine_diff_density_min         -2.166
_refine_diff_density_rms         0.155

_shelxl_version_number           2013-2



