# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H31 Mn N5 O4, Ag5 I7, C10 H8 N2'
_chemical_formula_sum            'C29 H39 Ag5 I7 Mn N7 O4'
_chemical_formula_weight         2032.26

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'
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'
Mn Mn 0.3368 0.7283 '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 '
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_Int_Tables_number      4

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

_cell_length_a                   11.7091(18)
_cell_length_b                   15.066(2)
_cell_length_c                   13.811(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.441(4)
_cell_angle_gamma                90.00
_cell_volume                     2421.1(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    12408
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      25.35

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1850
_exptl_absorpt_coefficient_mu    6.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1336
_exptl_absorpt_correction_T_max  0.2947
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12364
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         25.35
_reflns_number_total             8000
_reflns_number_gt                7507
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0278P)²+0.0000P] 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   0.19(3)
_refine_ls_number_reflns         8000
_refine_ls_number_parameters     456
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.0700
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      0.977
_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 1.00049(8) 0.05151(6) -0.00144(7) 0.0527(2) Uani 1 1 d . . .
Ag2 Ag 0.79010(8) 0.18367(6) -0.04632(6) 0.0493(2) Uani 1 1 d . . .
Ag3 Ag 1.00927(7) 0.17311(6) -0.17048(7) 0.0498(2) Uani 1 1 d . . .
Ag4 Ag 1.15723(8) -0.12046(6) -0.01656(7) 0.0517(2) Uani 1 1 d . . .
Ag5 Ag 0.94644(9) -0.12151(6) 0.12100(7) 0.0550(3) Uani 1 1 d . . .
I1 I 1.03477(6) 0.24924(4) 0.03768(5) 0.03700(16) Uani 1 1 d . . .
I2 I 1.07720(7) -0.00807(5) -0.17721(5) 0.0527(2) Uani 1 1 d . . .
I3 I 1.15318(6) -0.02191(5) 0.15820(5) 0.03801(17) Uani 1 1 d . . .
I4 I 0.78263(6) 0.02299(5) 0.06384(5) 0.0473(2) Uani 1 1 d . . .
I5 I 0.63010(6) 0.30101(5) 0.02477(5) 0.03951(17) Uani 1 1 d . . .
I6 I 0.78133(6) 0.19403(5) -0.24843(5) 0.04190(18) Uani 1 1 d . . .
I7 I 0.85043(6) -0.21468(5) 0.26524(5) 0.04262(18) Uani 1 1 d . . .
Mn1 Mn 0.44373(11) 0.22606(10) 0.38633(10) 0.0270(3) Uani 1 1 d . . .
N1 N 0.2468(6) 0.2272(5) 0.3843(5) 0.0289(17) Uani 1 1 d . . .
N2 N -0.3599(6) 0.2363(6) 0.3814(5) 0.0304(19) Uani 1 1 d . . .
N3 N -0.2918(9) 0.5069(8) 0.4988(8) 0.038(19) Uani 1 1 d . . .
N4 N 0.3163(7) 0.5207(6) 0.5582(6) 0.039(2) Uani 1 1 d . . .
N5 N 0.4135(9) 0.4484(7) 0.2345(8) 0.0475(18) Uani 1 1 d . . .
N6 N 0.4829(6) 0.3034(6) 0.6908(5) 0.0328(19) Uani 1 1 d . . .
N7 N 0.3912(7) 0.1480(6) 0.0846(6) 0.036(2) Uani 1 1 d . . .
O1 O 0.4360(6) 0.3705(5) 0.3745(6) 0.048(2) Uani 1 1 d . . .
O2 O 0.4588(5) 0.2404(5) 0.5419(5) 0.0340(16) Uani 1 1 d . . .
O3 O 0.4216(6) 0.2134(6) 0.2312(5) 0.038(3) Uani 1 1 d . . .
O4 O 0.4637(5) 0.0844(4) 0.4065(5) 0.0385(18) Uani 1 1 d D . .
H4A H 0.5299 0.0647 0.4099 0.058 Uiso 1 1 d RD . .
H4B H 0.4350 0.0707 0.4565 0.058 Uiso 1 1 d RD . .
C1 C 0.1962(8) 0.2750(7) 0.4499(7) 0.034(2) Uani 1 1 d . . .
H1 H 0.2435 0.3056 0.4984 0.041 Uiso 1 1 calc R . .
C2 C 0.0784(8) 0.2816(7) 0.4497(7) 0.034(2) Uani 1 1 d . . .
H2 H 0.0475 0.3164 0.4969 0.040 Uiso 1 1 calc R . .
C3 C 0.0065(7) 0.2371(6) 0.3804(6) 0.031(19) Uani 1 1 d . . .
C4 C 0.0590(7) 0.1885(7) 0.3124(6) 0.030(2) Uani 1 1 d . . .
H4 H 0.0139 0.1585 0.2620 0.036 Uiso 1 1 calc R . .
C5 C 0.1778(7) 0.1839(7) 0.3184(7) 0.029(2) Uani 1 1 d . . .
H5 H 0.2109 0.1482 0.2733 0.034 Uiso 1 1 calc R . .
C6 C -0.1196(7) 0.2400(6) 0.3784(6) 0.033(2) Uani 1 1 d . . .
C7 C -0.1946(8) 0.2419(7) 0.2930(7) 0.036(3) Uani 1 1 d . . .
H7 H -0.1661 0.2441 0.2320 0.044 Uiso 1 1 calc R . .
C8 C -0.3098(7) 0.2404(7) 0.2989(7) 0.034(2) Uani 1 1 d . . .
H8 H -0.3585 0.2424 0.2400 0.040 Uiso 1 1 calc R . .
C9 C -0.2874(7) 0.2355(6) 0.4645(7) 0.033(2) Uani 1 1 d . . .
H9 H -0.3189 0.2336 0.5242 0.034 Uiso 1 1 calc R . .
C10 C -0.1697(7) 0.2374(6) 0.4665(6) 0.026(2) Uani 1 1 d . . .
H10 H -0.1228 0.2368 0.5264 0.032 Uiso 1 1 calc R . .
C11 C -0.2326(10) 0.5542(8) 0.4414(9) 0.037(3) Uani 1 1 d . . .
H11 H -0.2746 0.5886 0.3930 0.064 Uiso 1 1 calc R . .
C12 C -0.1151(9) 0.5576(8) 0.4463(8) 0.037(3) Uani 1 1 d . . .
H12 H -0.0788 0.5944 0.4040 0.056 Uiso 1 1 calc R . .
C13 C -0.0511(8) 0.5054(6) 0.5151(7) 0.028(2) Uani 1 1 d . . .
C14 C -0.1118(8) 0.4516(7) 0.5736(7) 0.035(2) Uani 1 1 d . . .
H14 H -0.0726 0.4129 0.6193 0.042 Uiso 1 1 calc R . .
C15 C -0.2290(9) 0.4559(8) 0.5632(8) 0.047(3) Uani 1 1 d . . .
H15 H -0.2682 0.4202 0.6045 0.056 Uiso 1 1 calc R . .
C16 C 0.0763(8) 0.5103(6) 0.5287(7) 0.029(2) Uani 1 1 d . . .
C17 C 0.1402(8) 0.5170(7) 0.4496(7) 0.035(2) Uani 1 1 d . . .
H17 H 0.1034 0.5184 0.3855 0.042 Uiso 1 1 calc R . .
C18 C 0.2608(8) 0.5216(7) 0.4675(8) 0.038(3) Uani 1 1 d . . .
H18 H 0.3040 0.5253 0.4143 0.046 Uiso 1 1 calc R . .
C19 C 0.2534(8) 0.5138(7) 0.6333(8) 0.038(3) Uani 1 1 d . . .
H19 H 0.2914 0.5137 0.6969 0.046 Uiso 1 1 calc R . .
C20 C 0.1346(9) 0.5069(7) 0.6209(7) 0.038(3) Uani 1 1 d . . .
H20 H 0.0939 0.5000 0.6753 0.046 Uiso 1 1 calc R . .
C21 C 0.4753(10) 0.4156(7) 0.3137(9) 0.045(3) Uani 1 1 d . . .
H21 H 0.5544 0.4284 0.3228 0.060 Uiso 1 1 calc R . .
C22 C 0.2914(11) 0.4293(8) 0.2166(9) 0.041(18) Uani 1 1 d . . .
H22A H 0.2713 0.4160 0.1480 0.086 Uiso 1 1 calc R . .
H22B H 0.2480 0.4804 0.2343 0.086 Uiso 1 1 calc R . .
H22C H 0.2734 0.3786 0.2554 0.086 Uiso 1 1 calc R . .
C23 C 0.4677(11) 0.4986(8) 0.1639(9) 0.044(18) Uani 1 1 d . . .
H23A H 0.5481 0.5076 0.1873 0.086 Uiso 1 1 calc R . .
H23B H 0.4298 0.5556 0.1539 0.086 Uiso 1 1 calc R . .
H23C H 0.4617 0.4663 0.1027 0.086 Uiso 1 1 calc R . .
C24 C 0.4766(7) 0.3062(7) 0.5949(7) 0.034(2) Uani 1 1 d . . .
H24 H 0.4863 0.3614 0.5651 0.040 Uiso 1 1 calc R . .
C25 C 0.4672(9) 0.2200(7) 0.7407(8) 0.044(3) Uani 1 1 d . . .
H25A H 0.3895 0.2169 0.7584 0.066 Uiso 1 1 calc R . .
H25B H 0.5214 0.2167 0.7991 0.066 Uiso 1 1 calc R . .
H25C H 0.4803 0.1709 0.6979 0.066 Uiso 1 1 calc R . .
C26 C 0.5045(11) 0.3834(8) 0.7513(8) 0.051(4) Uani 1 1 d . . .
H26A H 0.5161 0.4338 0.7099 0.092 Uiso 1 1 calc R . .
H26B H 0.5726 0.3745 0.7970 0.092 Uiso 1 1 calc R . .
H26C H 0.4390 0.3945 0.7868 0.092 Uiso 1 1 calc R . .
C27 C 0.3807(11) 0.2118(10) 0.1464(10) 0.048(19) Uani 1 1 d . . .
H27 H 0.3372 0.2614 0.1232 0.083 Uiso 1 1 calc R . .
C28 C 0.4568(11) 0.0724(10) 0.1058(10) 0.045(19) Uani 1 1 d . . .
H28A H 0.5292 0.0781 0.0785 0.104 Uiso 1 1 calc R . .
H28B H 0.4155 0.0210 0.0779 0.104 Uiso 1 1 calc R . .
H28C H 0.4714 0.0653 0.1759 0.104 Uiso 1 1 calc R . .
C29 C 0.3419(11) 0.1518(10) -0.0161(9) 0.046(19) Uani 1 1 d . . .
H29A H 0.2871 0.2002 -0.0246 0.104 Uiso 1 1 calc R . .
H29B H 0.3032 0.0963 -0.0338 0.104 Uiso 1 1 calc R . .
H29C H 0.4025 0.1615 -0.0575 0.104 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 I2 2.8276(12) . ?
Ag1 I4 2.8322(12) . ?
Ag1 I3 2.8976(12) . ?
Ag1 I1 3.0463(13) . ?
Ag2 I6 2.7861(12) . ?
Ag2 I5 2.8306(11) . ?
Ag2 I4 2.8659(12) . ?
Ag2 Ag4 3.1181(14) 2_755 ?
Ag2 I1 3.1279(12) . ?
Ag3 I6 2.7815(11) . ?
Ag3 I7 2.7842(11) 2_755 ?
Ag3 I2 2.8478(12) . ?
Ag3 I1 3.0785(12) . ?
Ag3 Ag5 3.1986(14) 2_755 ?
Ag4 I5 2.7707(11) 2_745 ?
Ag4 I3 2.8386(12) . ?
Ag4 I2 2.8640(12) . ?
Ag4 I1 2.9743(12) 2_745 ?
Ag4 Ag2 3.1181(14) 2_745 ?
Ag5 I7 2.7758(12) . ?
Ag5 I3 2.8455(12) . ?
Ag5 I4 2.9500(13) . ?
Ag5 I1 2.9583(12) 2_745 ?
Ag5 Ag3 3.1986(14) 2_745 ?
I1 Ag5 2.9583(12) 2_755 ?
I1 Ag4 2.9743(12) 2_755 ?
I5 Ag4 2.7707(11) 2_755 ?
I7 Ag3 2.7842(11) 2_745 ?
Mn1 O3 2.138(7) . ?
Mn1 O2 2.147(6) . ?
Mn1 O4 2.161(7) . ?
Mn1 O1 2.184(8) . ?
Mn1 N1 2.303(7) . ?
Mn1 N2 2.314(7) 1_655 ?
N1 C5 1.320(11) . ?
N1 C1 1.346(11) . ?
N2 C8 1.340(11) . ?
N2 C9 1.349(11) . ?
N2 Mn1 2.314(7) 1_455 ?
N3 C11 1.319(15) . ?
N3 C15 1.333(15) . ?
N4 C19 1.342(12) . ?
N4 C18 1.344(12) . ?
N5 C21 1.337(15) . ?
N5 C23 1.436(14) . ?
N5 C22 1.453(15) . ?
N6 C24 1.319(11) . ?
N6 C25 1.454(13) . ?
N6 C26 1.472(13) . ?
N7 C27 1.300(15) . ?
N7 C28 1.386(16) . ?
N7 C29 1.446(14) . ?
O1 C21 1.211(13) . ?
O2 C24 1.236(11) . ?
O3 C27 1.214(14) . ?
O4 H4A 0.8266 . ?
O4 H4B 0.8273 . ?
C1 C2 1.383(12) . ?
C1 H1 0.9400 . ?
C2 C3 1.377(12) . ?
C2 H2 0.9400 . ?
C3 C4 1.387(12) . ?
C3 C6 1.475(11) . ?
C4 C5 1.386(11) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C7 1.390(12) . ?
C6 C10 1.409(11) . ?
C7 C8 1.361(12) . ?
C7 H7 0.9400 . ?
C8 H8 0.9400 . ?
C9 C10 1.376(11) . ?
C9 H9 0.9400 . ?
C10 H10 0.9400 . ?
C11 C12 1.371(15) . ?
C11 H11 0.9400 . ?
C12 C13 1.388(14) . ?
C12 H12 0.9400 . ?
C13 C14 1.394(13) . ?
C13 C16 1.484(12) . ?
C14 C15 1.365(14) . ?
C14 H14 0.9400 . ?
C15 H15 0.9400 . ?
C16 C20 1.376(13) . ?
C16 C17 1.396(12) . ?
C17 C18 1.407(13) . ?
C17 H17 0.9400 . ?
C18 H18 0.9400 . ?
C19 C20 1.386(13) . ?
C19 H19 0.9400 . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24 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 H27 0.9400 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?

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
I2 Ag1 I4 127.54(5) . . ?
I2 Ag1 I3 107.68(4) . . ?
I4 Ag1 I3 101.58(4) . . ?
I2 Ag1 I1 114.49(4) . . ?
I4 Ag1 I1 101.38(3) . . ?
I3 Ag1 I1 100.40(4) . . ?
I6 Ag2 I5 111.17(4) . . ?
I6 Ag2 I4 125.41(4) . . ?
I5 Ag2 I4 106.42(4) . . ?
I6 Ag2 Ag4 102.12(4) . 2_755 ?
I5 Ag2 Ag4 55.26(3) . 2_755 ?
I4 Ag2 Ag4 131.95(4) . 2_755 ?
I6 Ag2 I1 106.45(3) . . ?
I5 Ag2 I1 106.76(4) . . ?
I4 Ag2 I1 98.69(3) . . ?
Ag4 Ag2 I1 56.87(3) 2_755 . ?
I6 Ag3 I7 109.90(4) . 2_755 ?
I6 Ag3 I2 110.82(4) . . ?
I7 Ag3 I2 112.64(4) 2_755 . ?
I6 Ag3 I1 107.91(4) . . ?
I7 Ag3 I1 102.25(4) 2_755 . ?
I2 Ag3 I1 112.92(3) . . ?
I6 Ag3 Ag5 95.66(4) . 2_755 ?
I7 Ag3 Ag5 54.76(3) 2_755 2_755 ?
I2 Ag3 Ag5 153.52(4) . 2_755 ?
I1 Ag3 Ag5 56.20(3) . 2_755 ?
I5 Ag4 I3 111.04(4) 2_745 . ?
I5 Ag4 I2 115.99(4) 2_745 . ?
I3 Ag4 I2 108.31(4) . . ?
I5 Ag4 I1 112.77(4) 2_745 2_745 ?
I3 Ag4 I1 110.13(4) . 2_745 ?
I2 Ag4 I1 97.83(4) . 2_745 ?
I5 Ag4 Ag2 57.09(3) 2_745 2_745 ?
I3 Ag4 Ag2 106.26(4) . 2_745 ?
I2 Ag4 Ag2 144.36(4) . 2_745 ?
I1 Ag4 Ag2 61.73(3) 2_745 2_745 ?
I7 Ag5 I3 122.82(4) . . ?
I7 Ag5 I4 105.17(4) . . ?
I3 Ag5 I4 99.99(4) . . ?
I7 Ag5 I1 105.58(4) . 2_745 ?
I3 Ag5 I1 110.39(4) . 2_745 ?
I4 Ag5 I1 112.81(4) . 2_745 ?
I7 Ag5 Ag3 55.00(3) . 2_745 ?
I3 Ag5 Ag3 110.94(4) . 2_745 ?
I4 Ag5 Ag3 148.88(4) . 2_745 ?
I1 Ag5 Ag3 59.85(3) 2_745 2_745 ?
Ag5 I1 Ag4 67.11(3) 2_755 2_755 ?
Ag5 I1 Ag1 122.11(3) 2_755 . ?
Ag4 I1 Ag1 123.02(3) 2_755 . ?
Ag5 I1 Ag3 63.95(3) 2_755 . ?
Ag4 I1 Ag3 99.28(3) 2_755 . ?
Ag1 I1 Ag3 58.19(3) . . ?
Ag5 I1 Ag2 94.26(3) 2_755 . ?
Ag4 I1 Ag2 61.40(3) 2_755 . ?
Ag1 I1 Ag2 61.86(3) . . ?
Ag3 I1 Ag2 63.07(3) . . ?
Ag1 I2 Ag3 63.31(3) . . ?
Ag1 I2 Ag4 68.31(3) . . ?
Ag3 I2 Ag4 127.57(4) . . ?
Ag4 I3 Ag5 70.47(3) . . ?
Ag4 I3 Ag1 67.70(3) . . ?
Ag5 I3 Ag1 67.92(3) . . ?
Ag1 I4 Ag2 67.70(3) . . ?
Ag1 I4 Ag5 67.37(3) . . ?
Ag2 I4 Ag5 135.06(4) . . ?
Ag4 I5 Ag2 67.64(3) 2_755 . ?
Ag3 I6 Ag2 71.33(3) . . ?
Ag5 I7 Ag3 70.24(3) . 2_745 ?
O3 Mn1 O2 177.7(3) . . ?
O3 Mn1 O4 92.3(3) . . ?
O2 Mn1 O4 88.6(3) . . ?
O3 Mn1 O1 90.9(3) . . ?
O2 Mn1 O1 88.4(3) . . ?
O4 Mn1 O1 175.3(3) . . ?
O3 Mn1 N1 88.9(3) . . ?
O2 Mn1 N1 88.9(2) . . ?
O4 Mn1 N1 95.9(3) . . ?
O1 Mn1 N1 87.6(3) . . ?
O3 Mn1 N2 89.2(3) . 1_655 ?
O2 Mn1 N2 93.0(3) . 1_655 ?
O4 Mn1 N2 88.6(3) . 1_655 ?
O1 Mn1 N2 88.0(3) . 1_655 ?
N1 Mn1 N2 175.1(3) . 1_655 ?
C5 N1 C1 116.5(7) . . ?
C5 N1 Mn1 122.7(6) . . ?
C1 N1 Mn1 120.8(6) . . ?
C8 N2 C9 115.5(7) . . ?
C8 N2 Mn1 124.0(6) . 1_455 ?
C9 N2 Mn1 120.4(6) . 1_455 ?
C11 N3 C15 115.1(11) . . ?
C19 N4 C18 118.1(9) . . ?
C21 N5 C23 120.7(11) . . ?
C21 N5 C22 119.9(10) . . ?
C23 N5 C22 119.3(10) . . ?
C24 N6 C25 120.6(9) . . ?
C24 N6 C26 122.0(10) . . ?
C25 N6 C26 117.4(8) . . ?
C27 N7 C28 124.0(11) . . ?
C27 N7 C29 123.0(11) . . ?
C28 N7 C29 112.8(10) . . ?
C21 O1 Mn1 126.6(7) . . ?
C24 O2 Mn1 131.5(7) . . ?
C27 O3 Mn1 163.4(8) . . ?
Mn1 O4 H4A 116.8 . . ?
Mn1 O4 H4B 107.8 . . ?
H4A O4 H4B 109.2 . . ?
N1 C1 C2 123.5(8) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 119.9(8) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 116.5(7) . . ?
C2 C3 C6 122.0(8) . . ?
C4 C3 C6 121.5(8) . . ?
C5 C4 C3 120.2(8) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
N1 C5 C4 123.4(8) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C7 C6 C10 116.7(8) . . ?
C7 C6 C3 123.5(8) . . ?
C10 C6 C3 119.8(7) . . ?
C8 C7 C6 119.0(8) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
N2 C8 C7 125.7(9) . . ?
N2 C8 H8 117.2 . . ?
C7 C8 H8 117.2 . . ?
N2 C9 C10 123.3(8) . . ?
N2 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
C9 C10 C6 119.8(8) . . ?
C9 C10 H10 120.1 . . ?
C6 C10 H10 120.1 . . ?
N3 C11 C12 125.7(12) . . ?
N3 C11 H11 117.2 . . ?
C12 C11 H11 117.2 . . ?
C11 C12 C13 118.3(11) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C12 C13 C14 117.1(9) . . ?
C12 C13 C16 121.1(9) . . ?
C14 C13 C16 121.7(8) . . ?
C15 C14 C13 118.9(10) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N3 C15 C14 124.8(11) . . ?
N3 C15 H15 117.6 . . ?
C14 C15 H15 117.6 . . ?
C20 C16 C17 118.3(9) . . ?
C20 C16 C13 120.1(8) . . ?
C17 C16 C13 121.6(9) . . ?
C16 C17 C18 118.7(9) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
N4 C18 C17 122.3(9) . . ?
N4 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
N4 C19 C20 122.7(10) . . ?
N4 C19 H19 118.6 . . ?
C20 C19 H19 118.6 . . ?
C16 C20 C19 119.9(9) . . ?
C16 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
O1 C21 N5 124.2(12) . . ?
O1 C21 H21 117.9 . . ?
N5 C21 H21 117.9 . . ?
N5 C22 H22A 109.5 . . ?
N5 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N5 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N5 C23 H23A 109.5 . . ?
N5 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N5 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O2 C24 N6 123.7(10) . . ?
O2 C24 H24 118.1 . . ?
N6 C24 H24 118.1 . . ?
N6 C25 H25A 109.5 . . ?
N6 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N6 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N6 C26 H26A 109.5 . . ?
N6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O3 C27 N7 126.2(14) . . ?
O3 C27 H27 116.9 . . ?
N7 C27 H27 116.9 . . ?
N7 C28 H28A 109.5 . . ?
N7 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N7 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N7 C29 H29A 109.5 . . ?
N7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

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
I2 Ag1 I1 Ag5 23.91(6) . . . 2_755 ?
I4 Ag1 I1 Ag5 -116.87(4) . . . 2_755 ?
I3 Ag1 I1 Ag5 138.94(4) . . . 2_755 ?
I2 Ag1 I1 Ag4 105.88(5) . . . 2_755 ?
I4 Ag1 I1 Ag4 -34.90(5) . . . 2_755 ?
I3 Ag1 I1 Ag4 -139.09(4) . . . 2_755 ?
I2 Ag1 I1 Ag3 26.07(4) . . . . ?
I4 Ag1 I1 Ag3 -114.71(4) . . . . ?
I3 Ag1 I1 Ag3 141.09(4) . . . . ?
I2 Ag1 I1 Ag2 100.25(4) . . . . ?
I4 Ag1 I1 Ag2 -40.54(3) . . . . ?
I3 Ag1 I1 Ag2 -144.73(4) . . . . ?
I6 Ag3 I1 Ag5 -84.74(4) . . . 2_755 ?
I7 Ag3 I1 Ag5 31.13(3) 2_755 . . 2_755 ?
I2 Ag3 I1 Ag5 152.43(4) . . . 2_755 ?
I6 Ag3 I1 Ag4 -25.97(4) . . . 2_755 ?
I7 Ag3 I1 Ag4 89.90(4) 2_755 . . 2_755 ?
I2 Ag3 I1 Ag4 -148.80(4) . . . 2_755 ?
Ag5 Ag3 I1 Ag4 58.77(3) 2_755 . . 2_755 ?
I6 Ag3 I1 Ag1 97.29(4) . . . . ?
I7 Ag3 I1 Ag1 -146.84(4) 2_755 . . . ?
I2 Ag3 I1 Ag1 -25.54(4) . . . . ?
Ag5 Ag3 I1 Ag1 -177.97(4) 2_755 . . . ?
I6 Ag3 I1 Ag2 25.20(3) . . . . ?
I7 Ag3 I1 Ag2 141.06(4) 2_755 . . . ?
I2 Ag3 I1 Ag2 -97.64(4) . . . . ?
Ag5 Ag3 I1 Ag2 109.94(3) 2_755 . . . ?
I6 Ag2 I1 Ag5 32.94(4) . . . 2_755 ?
I5 Ag2 I1 Ag5 -85.89(4) . . . 2_755 ?
I4 Ag2 I1 Ag5 163.95(3) . . . 2_755 ?
Ag4 Ag2 I1 Ag5 -61.00(3) 2_755 . . 2_755 ?
I6 Ag2 I1 Ag4 93.94(4) . . . 2_755 ?
I5 Ag2 I1 Ag4 -24.89(3) . . . 2_755 ?
I4 Ag2 I1 Ag4 -135.05(4) . . . 2_755 ?
I6 Ag2 I1 Ag1 -91.45(4) . . . . ?
I5 Ag2 I1 Ag1 149.73(4) . . . . ?
I4 Ag2 I1 Ag1 39.57(3) . . . . ?
Ag4 Ag2 I1 Ag1 174.62(4) 2_755 . . . ?
I6 Ag2 I1 Ag3 -24.94(3) . . . . ?
I5 Ag2 I1 Ag3 -143.77(4) . . . . ?
I4 Ag2 I1 Ag3 106.07(4) . . . . ?
Ag4 Ag2 I1 Ag3 -118.88(3) 2_755 . . . ?
I4 Ag1 I2 Ag3 101.72(5) . . . . ?
I3 Ag1 I2 Ag3 -137.57(4) . . . . ?
I1 Ag1 I2 Ag3 -26.86(4) . . . . ?
I4 Ag1 I2 Ag4 -99.14(5) . . . . ?
I3 Ag1 I2 Ag4 21.58(4) . . . . ?
I1 Ag1 I2 Ag4 132.28(4) . . . . ?
I6 Ag3 I2 Ag1 -94.98(4) . . . . ?
I7 Ag3 I2 Ag1 141.43(5) 2_755 . . . ?
I1 Ag3 I2 Ag1 26.22(4) . . . . ?
Ag5 Ag3 I2 Ag1 85.83(9) 2_755 . . . ?
I6 Ag3 I2 Ag4 -119.65(5) . . . . ?
I7 Ag3 I2 Ag4 116.76(5) 2_755 . . . ?
I1 Ag3 I2 Ag4 1.55(6) . . . . ?
Ag5 Ag3 I2 Ag4 61.16(11) 2_755 . . . ?
I5 Ag4 I2 Ag1 -147.73(5) 2_745 . . . ?
I3 Ag4 I2 Ag1 -22.13(4) . . . . ?
I1 Ag4 I2 Ag1 92.16(4) 2_745 . . . ?
Ag2 Ag4 I2 Ag1 143.21(7) 2_745 . . . ?
I5 Ag4 I2 Ag3 -124.07(5) 2_745 . . . ?
I3 Ag4 I2 Ag3 1.53(6) . . . . ?
I1 Ag4 I2 Ag3 115.82(5) 2_745 . . . ?
Ag2 Ag4 I2 Ag3 166.87(6) 2_745 . . . ?
I5 Ag4 I3 Ag5 -136.47(4) 2_745 . . . ?
I2 Ag4 I3 Ag5 95.08(4) . . . . ?
I1 Ag4 I3 Ag5 -10.83(3) 2_745 . . . ?
Ag2 Ag4 I3 Ag5 -76.08(4) 2_745 . . . ?
I5 Ag4 I3 Ag1 150.12(4) 2_745 . . . ?
I2 Ag4 I3 Ag1 21.67(4) . . . . ?
I1 Ag4 I3 Ag1 -84.24(4) 2_745 . . . ?
Ag2 Ag4 I3 Ag1 -149.50(4) 2_745 . . . ?
I7 Ag5 I3 Ag4 136.40(5) . . . . ?
I4 Ag5 I3 Ag4 -108.14(4) . . . . ?
I1 Ag5 I3 Ag4 10.91(3) 2_745 . . . ?
Ag3 Ag5 I3 Ag4 75.35(4) 2_745 . . . ?
I7 Ag5 I3 Ag1 -150.49(5) . . . . ?
I4 Ag5 I3 Ag1 -35.04(3) . . . . ?
I1 Ag5 I3 Ag1 84.01(4) 2_745 . . . ?
Ag3 Ag5 I3 Ag1 148.45(4) 2_745 . . . ?
I2 Ag1 I3 Ag4 -21.88(4) . . . . ?
I4 Ag1 I3 Ag4 114.03(4) . . . . ?
I1 Ag1 I3 Ag4 -141.94(4) . . . . ?
I2 Ag1 I3 Ag5 -98.96(4) . . . . ?
I4 Ag1 I3 Ag5 36.95(3) . . . . ?
I1 Ag1 I3 Ag5 140.98(4) . . . . ?
I2 Ag1 I4 Ag2 -90.94(5) . . . . ?
I3 Ag1 I4 Ag2 145.79(4) . . . . ?
I1 Ag1 I4 Ag2 42.54(3) . . . . ?
I2 Ag1 I4 Ag5 87.67(5) . . . . ?
I3 Ag1 I4 Ag5 -35.60(3) . . . . ?
I1 Ag1 I4 Ag5 -138.86(4) . . . . ?
I6 Ag2 I4 Ag1 76.63(5) . . . . ?
I5 Ag2 I4 Ag1 -151.20(4) . . . . ?
Ag4 Ag2 I4 Ag1 -93.47(5) 2_755 . . . ?
I1 Ag2 I4 Ag1 -40.77(3) . . . . ?
I6 Ag2 I4 Ag5 74.81(7) . . . . ?
I5 Ag2 I4 Ag5 -153.02(5) . . . . ?
Ag4 Ag2 I4 Ag5 -95.29(7) 2_755 . . . ?
I1 Ag2 I4 Ag5 -42.59(6) . . . . ?
I7 Ag5 I4 Ag1 164.30(4) . . . . ?
I3 Ag5 I4 Ag1 36.13(3) . . . . ?
I1 Ag5 I4 Ag1 -81.12(4) 2_745 . . . ?
Ag3 Ag5 I4 Ag1 -150.17(8) 2_745 . . . ?
I7 Ag5 I4 Ag2 166.13(5) . . . . ?
I3 Ag5 I4 Ag2 37.96(6) . . . . ?
I1 Ag5 I4 Ag2 -79.30(6) 2_745 . . . ?
Ag3 Ag5 I4 Ag2 -148.35(7) 2_745 . . . ?
I6 Ag2 I5 Ag4 -90.31(4) . . . 2_755 ?
I4 Ag2 I5 Ag4 130.07(4) . . . 2_755 ?
I1 Ag2 I5 Ag4 25.40(3) . . . 2_755 ?
I7 Ag3 I6 Ag2 -137.48(4) 2_755 . . . ?
I2 Ag3 I6 Ag2 97.38(4) . . . . ?
I1 Ag3 I6 Ag2 -26.73(3) . . . . ?
Ag5 Ag3 I6 Ag2 -82.98(3) 2_755 . . . ?
I5 Ag2 I6 Ag3 141.96(4) . . . . ?
I4 Ag2 I6 Ag3 -87.72(5) . . . . ?
Ag4 Ag2 I6 Ag3 84.76(4) 2_755 . . . ?
I1 Ag2 I6 Ag3 26.06(3) . . . . ?
I3 Ag5 I7 Ag3 -93.88(5) . . . 2_745 ?
I4 Ag5 I7 Ag3 153.24(4) . . . 2_745 ?
I1 Ag5 I7 Ag3 33.73(4) 2_745 . . 2_745 ?
O3 Mn1 N1 C5 31.1(8) . . . . ?
O2 Mn1 N1 C5 -149.5(7) . . . . ?
O4 Mn1 N1 C5 -61.0(7) . . . . ?
O1 Mn1 N1 C5 122.0(7) . . . . ?
N2 Mn1 N1 C5 97(3) 1_655 . . . ?
O3 Mn1 N1 C1 -146.9(7) . . . . ?
O2 Mn1 N1 C1 32.5(7) . . . . ?
O4 Mn1 N1 C1 120.9(7) . . . . ?
O1 Mn1 N1 C1 -56.0(7) . . . . ?
N2 Mn1 N1 C1 -81(3) 1_655 . . . ?
O3 Mn1 O1 C21 -37.1(10) . . . . ?
O2 Mn1 O1 C21 145.1(10) . . . . ?
O4 Mn1 O1 C21 95(3) . . . . ?
N1 Mn1 O1 C21 -125.9(10) . . . . ?
N2 Mn1 O1 C21 52.1(10) 1_655 . . . ?
O3 Mn1 O2 C24 -83(8) . . . . ?
O4 Mn1 O2 C24 165.2(8) . . . . ?
O1 Mn1 O2 C24 -11.2(8) . . . . ?
N1 Mn1 O2 C24 -98.9(8) . . . . ?
N2 Mn1 O2 C24 76.6(8) 1_655 . . . ?
O2 Mn1 O3 C27 -3(10) . . . . ?
O4 Mn1 O3 C27 109(3) . . . . ?
O1 Mn1 O3 C27 -75(3) . . . . ?
N1 Mn1 O3 C27 13(3) . . . . ?
N2 Mn1 O3 C27 -163(3) 1_655 . . . ?
C5 N1 C1 C2 -1.2(14) . . . . ?
Mn1 N1 C1 C2 177.0(8) . . . . ?
N1 C1 C2 C3 0.6(15) . . . . ?
C1 C2 C3 C4 -1.1(14) . . . . ?
C1 C2 C3 C6 178.5(9) . . . . ?
C2 C3 C4 C5 2.3(14) . . . . ?
C6 C3 C4 C5 -177.3(9) . . . . ?
C1 N1 C5 C4 2.4(14) . . . . ?
Mn1 N1 C5 C4 -175.7(7) . . . . ?
C3 C4 C5 N1 -3.1(15) . . . . ?
C2 C3 C6 C7 143.3(11) . . . . ?
C4 C3 C6 C7 -37.1(14) . . . . ?
C2 C3 C6 C10 -39.4(13) . . . . ?
C4 C3 C6 C10 140.2(10) . . . . ?
C10 C6 C7 C8 -0.4(15) . . . . ?
C3 C6 C7 C8 176.9(9) . . . . ?
C9 N2 C8 C7 1.4(16) . . . . ?
Mn1 N2 C8 C7 -176.5(8) 1_455 . . . ?
C6 C7 C8 N2 -0.7(17) . . . . ?
C8 N2 C9 C10 -1.0(15) . . . . ?
Mn1 N2 C9 C10 177.0(7) 1_455 . . . ?
N2 C9 C10 C6 -0.1(15) . . . . ?
C7 C6 C10 C9 0.8(14) . . . . ?
C3 C6 C10 C9 -176.7(8) . . . . ?
C15 N3 C11 C12 -3.2(19) . . . . ?
N3 C11 C12 C13 2.0(19) . . . . ?
C11 C12 C13 C14 1.2(15) . . . . ?
C11 C12 C13 C16 -175.9(9) . . . . ?
C12 C13 C14 C15 -2.8(13) . . . . ?
C16 C13 C14 C15 174.3(9) . . . . ?
C11 N3 C15 C14 1.3(17) . . . . ?
C13 C14 C15 N3 1.7(16) . . . . ?
C12 C13 C16 C20 140.2(10) . . . . ?
C14 C13 C16 C20 -36.7(13) . . . . ?
C12 C13 C16 C17 -40.8(14) . . . . ?
C14 C13 C16 C17 142.2(10) . . . . ?
C20 C16 C17 C18 -1.1(15) . . . . ?
C13 C16 C17 C18 179.9(9) . . . . ?
C19 N4 C18 C17 1.0(15) . . . . ?
C16 C17 C18 N4 -0.7(15) . . . . ?
C18 N4 C19 C20 0.6(15) . . . . ?
C17 C16 C20 C19 2.6(15) . . . . ?
C13 C16 C20 C19 -178.4(9) . . . . ?
N4 C19 C20 C16 -2.5(16) . . . . ?
Mn1 O1 C21 N5 99.4(12) . . . . ?
C23 N5 C21 O1 -177.6(10) . . . . ?
C22 N5 C21 O1 -1.0(18) . . . . ?
Mn1 O2 C24 N6 179.6(6) . . . . ?
C25 N6 C24 O2 -0.8(14) . . . . ?
C26 N6 C24 O2 179.8(9) . . . . ?
Mn1 O3 C27 N7 -130(3) . . . . ?
C28 N7 C27 O3 -3.2(19) . . . . ?
C29 N7 C27 O3 -178.6(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4A N4 0.83 1.92 2.742(10) 170.1 2_646
O4 H4B N3 0.83 2.09 2.777(12) 141.0 2_546

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.753
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.167
_database_code_depnum_ccdc_archive 'CCDC 995786'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H64 Ag11 I15 Mn2 N4 O8 S8'
_chemical_formula_sum            'C36 H64 Ag11 I15 Mn2 N4 O8 S8'
_chemical_formula_weight         4137.34

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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
_symmetry_Int_Tables_number      14

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                   8.2323(12)
_cell_length_b                   34.488(5)
_cell_length_c                   15.856(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.218(4)
_cell_angle_gamma                90.00
_cell_volume                     4489.6(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15547
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      25.3

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.060
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3724
_exptl_absorpt_coefficient_mu    7.992
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1342
_exptl_absorpt_correction_T_max  0.2978
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36858
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         25.35
_reflns_number_total             8164
_reflns_number_gt                4731
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1513P)²+0.0000P] 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         8164
_refine_ls_number_parameters     402
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.1350
_refine_ls_wR_factor_gt          0.1030
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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 0.5939(3) 0.32674(8) 0.77996(16) 0.0607(7) Uani 1 1 d . . .
Ag2 Ag 0.1880(3) 0.33407(8) 0.77845(16) 0.0609(8) Uani 1 1 d . . .
Ag3 Ag 0.1793(3) 0.42358(8) 0.71442(15) 0.0604(7) Uani 1 1 d . . .
Ag4 Ag 0.5803(3) 0.42408(8) 0.71382(14) 0.0667(7) Uani 1 1 d . . .
Ag5 Ag 0.4253(2) 0.45144(6) 0.86594(12) 0.0696(6) Uani 1 1 d . . .
Ag6 Ag 0.8967(4) 0.38090(10) 0.76164(18) 0.0560(7) Uani 0.50 1 d P . .
I1 I 0.37710(15) 0.36426(4) 0.63829(8) 0.0554(4) Uani 1 1 d . . .
I2 I 0.3838(2) 0.28006(5) 0.86705(10) 0.0734(5) Uani 1 1 d . . .
I3 I -0.11718(18) 0.30458(5) 0.69853(9) 0.0682(4) Uani 1 1 d . . .
I4 I 0.15732(15) 0.40100(5) 0.89051(8) 0.0642(4) Uani 1 1 d . . .
I5 I 0.37868(17) 0.49298(4) 0.71255(8) 0.0613(4) Uani 1 1 d . . .
I6 I 0.86354(17) 0.43355(5) 0.62420(9) 0.0672(4) Uani 1 1 d . . .
I7 I 0.67590(15) 0.39360(4) 0.88665(8) 0.0592(4) Uani 1 1 d . . .
I8 I 0.5000 0.5000 1.0000 0.1292(14) Uani 1 2 d S . .
Mn1 Mn 0.8768(3) 0.63605(7) 0.73157(14) 0.0436(6) Uani 1 1 d . . .
N1 N 0.9914(19) 0.6762(4) 0.8334(8) 0.045(3) Uani 1 1 d . . .
N2 N 1.2849(15) 0.8140(4) 1.1418(9) 0.042(3) Uani 1 1 d . . .
C1 C 1.028(2) 0.7120(6) 0.8143(12) 0.057(5) Uani 1 1 d . . .
H1 H 1.0094 0.7197 0.7582 0.068 Uiso 1 1 calc R . .
C2 C 1.094(2) 0.7396(5) 0.8732(12) 0.053(5) Uani 1 1 d . . .
H2 H 1.1295 0.7636 0.8552 0.063 Uiso 1 1 calc R . .
C3 C 1.104(2) 0.7304(5) 0.9566(9) 0.040(4) Uani 1 1 d . . .
C4 C 1.071(2) 0.6922(6) 0.9775(10) 0.049(4) Uani 1 1 d . . .
H4 H 1.0794 0.6844 1.0338 0.058 Uiso 1 1 calc R . .
C5 C 1.026(3) 0.6671(5) 0.9172(14) 0.055(6) Uani 1 1 d . . .
H5 H 1.0170 0.6412 0.9327 0.078 Uiso 1 1 calc R . .
C6 C 1.333(2) 0.8148(5) 1.0627(11) 0.046(4) Uani 1 1 d . . .
H6 H 1.4048 0.8341 1.0483 0.056 Uiso 1 1 calc R . .
C7 C 1.2797(19) 0.7877(5) 1.0014(10) 0.042(4) Uani 1 1 d . . .
H7 H 1.3177 0.7887 0.9476 0.050 Uiso 1 1 calc R . .
C8 C 1.167(2) 0.7588(5) 1.0220(9) 0.039(4) Uani 1 1 d . . .
C9 C 1.125(2) 0.7593(6) 1.1022(12) 0.058(5) Uani 1 1 d . . .
H9 H 1.0557 0.7401 1.1200 0.069 Uiso 1 1 calc R . .
C10 C 1.182(2) 0.7879(5) 1.1597(10) 0.045(4) Uani 1 1 d . . .
H10 H 1.1430 0.7879 1.2134 0.054 Uiso 1 1 calc R . .
O1 O 0.6459(18) 0.6426(5) 0.7884(7) 0.068(4) Uani 1 1 d D . .
O2 O 1.0931(13) 0.6355(4) 0.6588(8) 0.057(3) Uani 1 1 d D . .
O3 O 0.7752(15) 0.5943(3) 0.6439(7) 0.051(3) Uani 1 1 d D . .
O4 O 0.963(2) 0.5906(4) 0.8118(9) 0.070(5) Uani 1 1 d D . .
S1 S 0.6055(7) 0.6379(3) 0.8770(3) 0.071(3) Uani 1 1 d D . .
S2 S 1.2647(6) 0.6493(2) 0.6525(4) 0.066(18) Uani 1 1 d D . .
S3A S 0.8382(8) 0.57821(18) 0.5640(3) 0.0467(14) Uani 0.73 1 d PD . .
S3B S 0.787(2) 0.5527(5) 0.6247(12) 0.080(6) Uani 0.27 1 d PD . .
S4A S 0.9841(11) 0.5490(3) 0.8163(5) 0.054(2) Uani 0.54 1 d PD . .
S4B S 0.9023(14) 0.5580(4) 0.8618(8) 0.069(3) Uani 0.46 1 d PD . .
C11 C 0.431(4) 0.6095(10) 0.873(2) 0.074(15) Uani 1 1 d D . .
H11A H 0.3871 0.6073 0.8151 0.086 Uiso 1 1 calc R . .
H11B H 0.3516 0.6213 0.9060 0.086 Uiso 1 1 calc R . .
H11C H 0.4575 0.5841 0.8946 0.086 Uiso 1 1 calc R . .
C12 C 0.527(5) 0.6828(6) 0.900(3) 0.071(15) Uani 1 1 d D . .
H12A H 0.4977 0.6965 0.8489 0.086 Uiso 1 1 calc R . .
H12B H 0.6078 0.6974 0.9339 0.086 Uiso 1 1 calc R . .
H12C H 0.4324 0.6795 0.9316 0.086 Uiso 1 1 calc R . .
C13 C 1.382(3) 0.6077(7) 0.634(2) 0.073(15) Uani 1 1 d D . .
H13A H 1.4074 0.5943 0.6859 0.094 Uiso 1 1 calc R . .
H13B H 1.4804 0.6153 0.6096 0.094 Uiso 1 1 calc R . .
H13C H 1.3202 0.5908 0.5949 0.094 Uiso 1 1 calc R . .
C14 C 1.270(4) 0.6699(8) 0.5503(13) 0.072(11) Uani 1 1 d D . .
H14A H 1.2117 0.6535 0.5096 0.089 Uiso 1 1 calc R . .
H14B H 1.3808 0.6724 0.5363 0.089 Uiso 1 1 calc R . .
H14C H 1.2196 0.6951 0.5496 0.089 Uiso 1 1 calc R . .
C15 C 0.684(2) 0.5447(6) 0.5272(13) 0.066(9) Uani 1 1 d D . .
C16 C 0.988(2) 0.5437(7) 0.5955(15) 0.064(8) Uani 1 1 d D . .
C17 C 0.826(4) 0.5158(8) 0.815(2) 0.068(2) Uani 1 1 d D . .
C18 C 1.080(3) 0.5376(9) 0.9163(15) 0.078(12) Uani 1 1 d 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 I2 2.800(3) . ?
Ag1 I3 2.892(3) 1_655 ?
Ag1 I7 2.910(3) . ?
Ag1 I1 3.052(3) . ?
Ag2 I2 2.776(3) . ?
Ag2 Ag6 2.887(4) 1_455 ?
Ag2 I3 2.913(3) . ?
Ag2 I4 2.935(3) . ?
Ag2 I1 2.992(3) . ?
Ag3 I6 2.894(3) 1_455 ?
Ag3 Ag6 2.898(4) 1_455 ?
Ag3 I5 2.904(3) . ?
Ag3 I4 2.917(3) . ?
Ag3 I1 2.930(3) . ?
Ag4 I6 2.837(2) . ?
Ag4 I1 2.862(3) . ?
Ag4 I5 2.898(3) . ?
Ag4 I7 2.986(3) . ?
Ag5 I8 2.7403(19) . ?
Ag5 I5 2.825(2) . ?
Ag5 I4 2.859(2) . ?
Ag5 I7 2.871(2) . ?
Ag6 I3 2.815(4) 1_655 ?
Ag6 I7 2.821(3) . ?
Ag6 I6 2.834(3) . ?
Ag6 Ag2 2.887(4) 1_655 ?
Ag6 Ag3 2.898(4) 1_655 ?
Ag6 I4 2.935(3) 1_655 ?
I3 Ag6 2.815(4) 1_455 ?
I3 Ag1 2.892(3) 1_455 ?
I4 Ag6 2.935(3) 1_455 ?
I6 Ag3 2.894(3) 1_655 ?
I8 Ag5 2.7403(19) 3_667 ?
Mn1 O4 2.107(12) . ?
Mn1 O3 2.128(11) . ?
Mn1 O1 2.174(14) . ?
Mn1 O2 2.192(11) . ?
Mn1 N1 2.277(13) . ?
Mn1 N2 2.325(14) 4_575 ?
N1 C1 1.31(2) . ?
N1 C5 1.37(2) . ?
N2 C10 1.28(2) . ?
N2 C6 1.34(2) . ?
N2 Mn1 2.325(14) 4_676 ?
C1 C2 1.41(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.36(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.39(2) . ?
C3 C8 1.49(2) . ?
C4 C5 1.32(3) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.39(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.42(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.34(2) . ?
C9 C10 1.40(2) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
O1 S1 1.476(11) . ?
O2 S2 1.501(11) . ?
O3 S3B 1.474(17) . ?
O3 S3A 1.510(10) . ?
O4 S4A 1.449(13) . ?
O4 S4B 1.484(14) . ?
S1 C12 1.731(18) . ?
S1 C11 1.736(18) . ?
S2 C13 1.767(16) . ?
S2 C14 1.773(16) . ?
S3A C16 1.762(15) . ?
S3A C15 1.779(15) . ?
S3B C15 1.730(17) . ?
S3B C16 1.778(17) . ?
S4A C17 1.733(17) . ?
S4A C18 1.763(16) . ?
S4B C17 1.734(18) . ?
S4B C18 1.789(17) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9604 . ?
C13 H13C 0.9604 . ?
C14 H14A 0.9611 . ?
C14 H14B 0.9611 . ?
C14 H14C 0.9611 . ?

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
I2 Ag1 I3 128.79(11) . 1_655 ?
I2 Ag1 I7 107.11(9) . . ?
I3 Ag1 I7 107.80(9) 1_655 . ?
I2 Ag1 I1 104.94(9) . . ?
I3 Ag1 I1 103.83(9) 1_655 . ?
I7 Ag1 I1 100.96(9) . . ?
I2 Ag2 Ag6 150.38(12) . 1_455 ?
I2 Ag2 I3 115.84(10) . . ?
Ag6 Ag2 I3 58.08(9) 1_455 . ?
I2 Ag2 I4 107.09(10) . . ?
Ag6 Ag2 I4 60.53(9) 1_455 . ?
I3 Ag2 I4 115.35(9) . . ?
I2 Ag2 I1 107.15(9) . . ?
Ag6 Ag2 I1 102.17(10) 1_455 . ?
I3 Ag2 I1 106.12(9) . . ?
I4 Ag2 I1 104.39(9) . . ?
I6 Ag3 Ag6 58.60(8) 1_455 1_455 ?
I6 Ag3 I5 112.63(9) 1_455 . ?
Ag6 Ag3 I5 152.45(12) 1_455 . ?
I6 Ag3 I4 112.83(8) 1_455 . ?
Ag6 Ag3 I4 60.63(8) 1_455 . ?
I5 Ag3 I4 107.74(9) . . ?
I6 Ag3 I1 112.68(9) 1_455 . ?
Ag6 Ag3 I1 103.46(11) 1_455 . ?
I5 Ag3 I1 103.87(8) . . ?
I4 Ag3 I1 106.47(9) . . ?
I6 Ag4 I1 110.49(9) . . ?
I6 Ag4 I5 113.16(10) . . ?
I1 Ag4 I5 105.75(8) . . ?
I6 Ag4 I7 109.22(8) . . ?
I1 Ag4 I7 103.70(9) . . ?
I5 Ag4 I7 114.03(8) . . ?
I8 Ag5 I5 111.49(8) . . ?
I8 Ag5 I4 113.42(7) . . ?
I5 Ag5 I4 111.63(7) . . ?
I8 Ag5 I7 102.57(7) . . ?
I5 Ag5 I7 120.14(8) . . ?
I4 Ag5 I7 96.72(8) . . ?
I3 Ag6 I7 112.55(11) 1_655 . ?
I3 Ag6 I6 109.06(11) 1_655 . ?
I7 Ag6 I6 114.21(11) . . ?
I3 Ag6 Ag2 61.42(9) 1_655 1_655 ?
I7 Ag6 Ag2 126.58(12) . 1_655 ?
I6 Ag6 Ag2 117.50(11) . 1_655 ?
I3 Ag6 Ag3 113.30(11) 1_655 1_655 ?
I7 Ag6 Ag3 132.37(13) . 1_655 ?
I6 Ag6 Ag3 60.64(8) . 1_655 ?
Ag2 Ag6 Ag3 68.34(10) 1_655 1_655 ?
I3 Ag6 I4 118.48(11) 1_655 1_655 ?
I7 Ag6 I4 87.13(9) . 1_655 ?
I6 Ag6 I4 114.08(12) . 1_655 ?
Ag2 Ag6 I4 60.55(9) 1_655 1_655 ?
Ag3 Ag6 I4 60.01(8) 1_655 1_655 ?
Ag4 I1 Ag3 69.49(8) . . ?
Ag4 I1 Ag2 105.07(8) . . ?
Ag3 I1 Ag2 66.53(7) . . ?
Ag4 I1 Ag1 72.88(8) . . ?
Ag3 I1 Ag1 107.78(8) . . ?
Ag2 I1 Ag1 67.29(7) . . ?
Ag2 I2 Ag1 73.82(9) . . ?
Ag6 I3 Ag1 66.88(8) 1_455 1_455 ?
Ag6 I3 Ag2 60.50(8) 1_455 . ?
Ag1 I3 Ag2 115.15(9) 1_455 . ?
Ag5 I4 Ag3 66.69(7) . . ?
Ag5 I4 Ag6 125.51(9) . 1_455 ?
Ag3 I4 Ag6 59.36(8) . 1_455 ?
Ag5 I4 Ag2 107.12(8) . . ?
Ag3 I4 Ag2 67.44(8) . . ?
Ag6 I4 Ag2 58.92(8) 1_455 . ?
Ag5 I5 Ag4 62.38(7) . . ?
Ag5 I5 Ag3 67.31(7) . . ?
Ag4 I5 Ag3 69.37(8) . . ?
Ag6 I6 Ag4 65.00(8) . . ?
Ag6 I6 Ag3 60.76(8) . 1_655 ?
Ag4 I6 Ag3 118.70(8) . 1_655 ?
Ag6 I7 Ag5 121.49(9) . . ?
Ag6 I7 Ag1 66.57(9) . . ?
Ag5 I7 Ag1 110.49(8) . . ?
Ag6 I7 Ag4 63.24(8) . . ?
Ag5 I7 Ag4 60.78(6) . . ?
Ag1 I7 Ag4 73.21(8) . . ?
Ag5 I8 Ag5 180.00(7) 3_667 . ?
O4 Mn1 O3 89.4(5) . . ?
O4 Mn1 O1 95.3(6) . . ?
O3 Mn1 O1 91.5(5) . . ?
O4 Mn1 O2 93.5(6) . . ?
O3 Mn1 O2 86.9(5) . . ?
O1 Mn1 O2 171.1(5) . . ?
O4 Mn1 N1 85.4(6) . . ?
O3 Mn1 N1 174.9(5) . . ?
O1 Mn1 N1 88.5(5) . . ?
O2 Mn1 N1 93.9(5) . . ?
O4 Mn1 N2 179.2(6) . 4_575 ?
O3 Mn1 N2 90.4(5) . 4_575 ?
O1 Mn1 N2 85.5(5) . 4_575 ?
O2 Mn1 N2 85.7(5) . 4_575 ?
N1 Mn1 N2 94.7(5) . 4_575 ?
C1 N1 C5 113.7(15) . . ?
C1 N1 Mn1 119.9(11) . . ?
C5 N1 Mn1 126.3(11) . . ?
C10 N2 C6 117.8(15) . . ?
C10 N2 Mn1 125.1(11) . 4_676 ?
C6 N2 Mn1 116.8(10) . 4_676 ?
N1 C1 C2 124.4(17) . . ?
N1 C1 H1 117.8 . . ?
C2 C1 H1 117.8 . . ?
C3 C2 C1 118.7(17) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 117.1(15) . . ?
C2 C3 C8 121.1(14) . . ?
C4 C3 C8 121.4(13) . . ?
C5 C4 C3 119.8(17) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 N1 125.2(18) . . ?
C4 C5 H5 117.4 . . ?
N1 C5 H5 117.4 . . ?
N2 C6 C7 122.6(15) . . ?
N2 C6 H6 118.8 . . ?
C7 C6 H6 118.7 . . ?
C6 C7 C8 119.2(14) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.3 . . ?
C9 C8 C7 115.3(15) . . ?
C9 C8 C3 124.6(16) . . ?
C7 C8 C3 120.1(14) . . ?
C8 C9 C10 122.0(17) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 H9 119.1 . . ?
N2 C10 C9 123.0(16) . . ?
N2 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
S1 O1 Mn1 130.4(9) . . ?
S2 O2 Mn1 146.8(9) . . ?
S3B O3 S3A 55.6(9) . . ?
S3B O3 Mn1 139.9(11) . . ?
S3A O3 Mn1 130.9(7) . . ?
S4A O4 S4B 42.8(6) . . ?
S4A O4 Mn1 143.2(10) . . ?
S4B O4 Mn1 140.8(12) . . ?
O1 S1 C12 102.7(15) . . ?
O1 S1 C11 105.6(14) . . ?
C12 S1 C11 101.1(12) . . ?
O2 S2 C13 106.2(12) . . ?
O2 S2 C14 105.9(13) . . ?
C13 S2 C14 96.9(10) . . ?
O3 S3A C16 106.7(10) . . ?
O3 S3A C15 103.6(10) . . ?
C16 S3A C15 97.0(9) . . ?
O3 S3B C15 107.6(14) . . ?
O3 S3B C16 107.6(14) . . ?
C15 S3B C16 98.3(11) . . ?
O4 S4A C17 124.5(15) . . ?
O4 S4A C18 108.1(12) . . ?
C17 S4A C18 98.8(11) . . ?
O4 S4B C17 122.1(14) . . ?
O4 S4B C18 105.2(13) . . ?
C17 S4B C18 97.7(12) . . ?
S1 C11 H11A 109.0 . . ?
S1 C11 H11B 110.4 . . ?
H11A C11 H11B 109.9 . . ?
S1 C11 H11C 111.0 . . ?
H11A C11 H11C 109.1 . . ?
H11B C11 H11C 109.1 . . ?
S1 C12 H12A 109.7 . . ?
S1 C12 H12B 109.2 . . ?
H12A C12 H12B 109.5 . . ?
S1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S2 C13 H13A 109.5 . . ?
S2 C13 H13B 109.2 . . ?
H13A C13 H13B 109.4 . . ?
S2 C13 H13C 109.8 . . ?
H13A C13 H13C 109.4 . . ?
H13B C13 H13C 109.5 . . ?
S2 C14 H14A 109.5 . . ?
S2 C14 H14B 109.6 . . ?
H14A C14 H14B 109.4 . . ?
S2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.4 . . ?
H14B C14 H14C 109.4 . . ?
S3B C15 S3A 46.7(8) . . ?
S3A C16 S3B 46.3(8) . . ?
S4A C17 S4B 35.9(5) . . ?
S4A C18 S4B 35.0(5) . . ?

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
I6 Ag4 I1 Ag3 -148.81(11) . . . . ?
I5 Ag4 I1 Ag3 -26.02(8) . . . . ?
I7 Ag4 I1 Ag3 94.26(8) . . . . ?
I6 Ag4 I1 Ag2 153.94(9) . . . . ?
I5 Ag4 I1 Ag2 -83.26(9) . . . . ?
I7 Ag4 I1 Ag2 37.01(9) . . . . ?
I6 Ag4 I1 Ag1 94.03(10) . . . . ?
I5 Ag4 I1 Ag1 -143.17(9) . . . . ?
I7 Ag4 I1 Ag1 -22.90(7) . . . . ?
I6 Ag3 I1 Ag4 147.92(10) 1_455 . . . ?
Ag6 Ag3 I1 Ag4 -150.80(11) 1_455 . . . ?
I5 Ag3 I1 Ag4 25.72(8) . . . . ?
I4 Ag3 I1 Ag4 -87.88(9) . . . . ?
I6 Ag3 I1 Ag2 -94.37(10) 1_455 . . . ?
Ag6 Ag3 I1 Ag2 -33.10(10) 1_455 . . . ?
I5 Ag3 I1 Ag2 143.43(10) . . . . ?
I4 Ag3 I1 Ag2 29.83(8) . . . . ?
I6 Ag3 I1 Ag1 -148.83(9) 1_455 . . . ?
Ag6 Ag3 I1 Ag1 -87.55(11) 1_455 . . . ?
I5 Ag3 I1 Ag1 88.98(9) . . . . ?
I4 Ag3 I1 Ag1 -24.63(11) . . . . ?
I2 Ag2 I1 Ag4 -83.50(11) . . . . ?
Ag6 Ag2 I1 Ag4 92.22(11) 1_455 . . . ?
I3 Ag2 I1 Ag4 152.17(9) . . . . ?
I4 Ag2 I1 Ag4 29.87(10) . . . . ?
I2 Ag2 I1 Ag3 -142.68(12) . . . . ?
Ag6 Ag2 I1 Ag3 33.04(10) 1_455 . . . ?
I3 Ag2 I1 Ag3 92.99(9) . . . . ?
I4 Ag2 I1 Ag3 -29.30(8) . . . . ?
I2 Ag2 I1 Ag1 -19.81(9) . . . . ?
Ag6 Ag2 I1 Ag1 155.91(12) 1_455 . . . ?
I3 Ag2 I1 Ag1 -144.14(10) . . . . ?
I4 Ag2 I1 Ag1 93.56(9) . . . . ?
I2 Ag1 I1 Ag4 134.49(10) . . . . ?
I3 Ag1 I1 Ag4 -88.34(9) 1_655 . . . ?
I7 Ag1 I1 Ag4 23.27(7) . . . . ?
I2 Ag1 I1 Ag3 73.42(10) . . . . ?
I3 Ag1 I1 Ag3 -149.41(8) 1_655 . . . ?
I7 Ag1 I1 Ag3 -37.79(10) . . . . ?
I2 Ag1 I1 Ag2 19.41(9) . . . . ?
I3 Ag1 I1 Ag2 156.58(11) 1_655 . . . ?
I7 Ag1 I1 Ag2 -91.80(9) . . . . ?
Ag6 Ag2 I2 Ag1 -150.7(3) 1_455 . . . ?
I3 Ag2 I2 Ag1 138.96(11) . . . . ?
I4 Ag2 I2 Ag1 -90.75(10) . . . . ?
I1 Ag2 I2 Ag1 20.78(9) . . . . ?
I3 Ag1 I2 Ag2 -142.26(14) 1_655 . . . ?
I7 Ag1 I2 Ag2 86.61(10) . . . . ?
I1 Ag1 I2 Ag2 -20.12(9) . . . . ?
I2 Ag2 I3 Ag6 146.75(13) . . . 1_455 ?
I4 Ag2 I3 Ag6 20.54(10) . . . 1_455 ?
I1 Ag2 I3 Ag6 -94.50(10) . . . 1_455 ?
I2 Ag2 I3 Ag1 106.56(12) . . . 1_455 ?
Ag6 Ag2 I3 Ag1 -40.19(11) 1_455 . . 1_455 ?
I4 Ag2 I3 Ag1 -19.66(14) . . . 1_455 ?
I1 Ag2 I3 Ag1 -134.69(9) . . . 1_455 ?
I8 Ag5 I4 Ag3 147.47(10) . . . . ?
I5 Ag5 I4 Ag3 20.51(8) . . . . ?
I7 Ag5 I4 Ag3 -105.69(8) . . . . ?
I8 Ag5 I4 Ag6 139.07(10) . . . 1_455 ?
I5 Ag5 I4 Ag6 12.11(14) . . . 1_455 ?
I7 Ag5 I4 Ag6 -114.08(11) . . . 1_455 ?
I8 Ag5 I4 Ag2 -157.28(8) . . . . ?
I5 Ag5 I4 Ag2 75.76(10) . . . . ?
I7 Ag5 I4 Ag2 -50.43(9) . . . . ?
I6 Ag3 I4 Ag5 -144.40(12) 1_455 . . . ?
Ag6 Ag3 I4 Ag5 -172.06(11) 1_455 . . . ?
I5 Ag3 I4 Ag5 -19.43(8) . . . . ?
I1 Ag3 I4 Ag5 91.50(9) . . . . ?
I6 Ag3 I4 Ag6 27.66(10) 1_455 . . 1_455 ?
I5 Ag3 I4 Ag6 152.64(12) . . . 1_455 ?
I1 Ag3 I4 Ag6 -96.44(11) . . . 1_455 ?
I6 Ag3 I4 Ag2 93.86(11) 1_455 . . . ?
Ag6 Ag3 I4 Ag2 66.19(10) 1_455 . . . ?
I5 Ag3 I4 Ag2 -141.17(10) . . . . ?
I1 Ag3 I4 Ag2 -30.25(8) . . . . ?
I2 Ag2 I4 Ag5 87.84(10) . . . . ?
Ag6 Ag2 I4 Ag5 -121.60(10) 1_455 . . . ?
I3 Ag2 I4 Ag5 -141.60(9) . . . . ?
I1 Ag2 I4 Ag5 -25.58(10) . . . . ?
I2 Ag2 I4 Ag3 142.64(11) . . . . ?
Ag6 Ag2 I4 Ag3 -66.80(9) 1_455 . . . ?
I3 Ag2 I4 Ag3 -86.80(10) . . . . ?
I1 Ag2 I4 Ag3 29.22(8) . . . . ?
I2 Ag2 I4 Ag6 -150.56(13) . . . 1_455 ?
I3 Ag2 I4 Ag6 -20.00(9) . . . 1_455 ?
I1 Ag2 I4 Ag6 96.02(10) . . . 1_455 ?
I8 Ag5 I5 Ag4 133.74(9) . . . . ?
I4 Ag5 I5 Ag4 -98.26(9) . . . . ?
I7 Ag5 I5 Ag4 13.80(8) . . . . ?
I8 Ag5 I5 Ag3 -148.51(9) . . . . ?
I4 Ag5 I5 Ag3 -20.51(8) . . . . ?
I7 Ag5 I5 Ag3 91.56(10) . . . . ?
I6 Ag4 I5 Ag5 -138.20(11) . . . . ?
I1 Ag4 I5 Ag5 100.73(9) . . . . ?
I7 Ag4 I5 Ag5 -12.54(8) . . . . ?
I6 Ag4 I5 Ag3 147.37(10) . . . . ?
I1 Ag4 I5 Ag3 26.29(8) . . . . ?
I7 Ag4 I5 Ag3 -86.98(9) . . . . ?
I6 Ag3 I5 Ag5 144.67(10) 1_455 . . . ?
Ag6 Ag3 I5 Ag5 79.6(2) 1_455 . . . ?
I4 Ag3 I5 Ag5 19.58(8) . . . . ?
I1 Ag3 I5 Ag5 -93.11(9) . . . . ?
I6 Ag3 I5 Ag4 -147.63(10) 1_455 . . . ?
Ag6 Ag3 I5 Ag4 147.3(2) 1_455 . . . ?
I4 Ag3 I5 Ag4 87.28(9) . . . . ?
I1 Ag3 I5 Ag4 -25.41(8) . . . . ?
I3 Ag6 I6 Ag4 103.15(12) 1_655 . . . ?
I7 Ag6 I6 Ag4 -23.75(10) . . . . ?
Ag2 Ag6 I6 Ag4 170.15(16) 1_655 . . . ?
Ag3 Ag6 I6 Ag4 -150.24(11) 1_655 . . . ?
I4 Ag6 I6 Ag4 -121.84(13) 1_655 . . . ?
I3 Ag6 I6 Ag3 -106.60(12) 1_655 . . 1_655 ?
I7 Ag6 I6 Ag3 126.50(15) . . . 1_655 ?
Ag2 Ag6 I6 Ag3 -39.61(12) 1_655 . . 1_655 ?
I4 Ag6 I6 Ag3 28.40(9) 1_655 . . 1_655 ?
I1 Ag4 I6 Ag6 -91.90(11) . . . . ?
I5 Ag4 I6 Ag6 149.74(12) . . . . ?
I7 Ag4 I6 Ag6 21.55(10) . . . . ?
I1 Ag4 I6 Ag3 -121.48(10) . . . 1_655 ?
I5 Ag4 I6 Ag3 120.16(10) . . . 1_655 ?
I7 Ag4 I6 Ag3 -8.03(14) . . . 1_655 ?
I3 Ag6 I7 Ag5 -120.40(11) 1_655 . . . ?
I6 Ag6 I7 Ag5 4.67(17) . . . . ?
Ag2 Ag6 I7 Ag5 169.29(13) 1_655 . . . ?
Ag3 Ag6 I7 Ag5 76.15(18) 1_655 . . . ?
I4 Ag6 I7 Ag5 119.85(9) 1_655 . . . ?
I3 Ag6 I7 Ag1 -19.92(10) 1_655 . . . ?
I6 Ag6 I7 Ag1 105.15(13) . . . . ?
Ag2 Ag6 I7 Ag1 -90.23(16) 1_655 . . . ?
Ag3 Ag6 I7 Ag1 176.63(18) 1_655 . . . ?
I4 Ag6 I7 Ag1 -139.67(11) 1_655 . . . ?
I3 Ag6 I7 Ag4 -102.22(12) 1_655 . . . ?
I6 Ag6 I7 Ag4 22.85(10) . . . . ?
Ag2 Ag6 I7 Ag4 -172.53(19) 1_655 . . . ?
Ag3 Ag6 I7 Ag4 94.34(17) 1_655 . . . ?
I4 Ag6 I7 Ag4 138.03(11) 1_655 . . . ?
I8 Ag5 I7 Ag6 -119.27(10) . . . . ?
I5 Ag5 I7 Ag6 5.02(14) . . . . ?
I4 Ag5 I7 Ag6 124.86(10) . . . . ?
I8 Ag5 I7 Ag1 166.33(7) . . . . ?
I5 Ag5 I7 Ag1 -69.37(11) . . . . ?
I4 Ag5 I7 Ag1 50.46(9) . . . . ?
I8 Ag5 I7 Ag4 -137.89(9) . . . . ?
I5 Ag5 I7 Ag4 -13.60(8) . . . . ?
I4 Ag5 I7 Ag4 106.24(8) . . . . ?
I2 Ag1 I7 Ag6 160.70(12) . . . . ?
I3 Ag1 I7 Ag6 18.77(10) 1_655 . . . ?
I1 Ag1 I7 Ag6 -89.77(10) . . . . ?
I2 Ag1 I7 Ag5 -82.83(11) . . . . ?
I3 Ag1 I7 Ag5 135.24(9) 1_655 . . . ?
I1 Ag1 I7 Ag5 26.70(10) . . . . ?
I2 Ag1 I7 Ag4 -131.75(10) . . . . ?
I3 Ag1 I7 Ag4 86.32(9) 1_655 . . . ?
I1 Ag1 I7 Ag4 -22.21(7) . . . . ?
I6 Ag4 I7 Ag6 -22.01(10) . . . . ?
I1 Ag4 I7 Ag6 95.80(11) . . . . ?
I5 Ag4 I7 Ag6 -149.71(12) . . . . ?
I6 Ag4 I7 Ag5 140.24(11) . . . . ?
I1 Ag4 I7 Ag5 -101.96(8) . . . . ?
I5 Ag4 I7 Ag5 12.53(8) . . . . ?
I6 Ag4 I7 Ag1 -93.77(10) . . . . ?
I1 Ag4 I7 Ag1 24.04(8) . . . . ?
I5 Ag4 I7 Ag1 138.53(10) . . . . ?
I5 Ag5 I8 Ag5 -173(51) . . . 3_667 ?
I4 Ag5 I8 Ag5 60(51) . . . 3_667 ?
I7 Ag5 I8 Ag5 -43(51) . . . 3_667 ?
O4 Mn1 N1 C1 158.8(15) . . . . ?
O3 Mn1 N1 C1 164(5) . . . . ?
O1 Mn1 N1 C1 -105.7(15) . . . . ?
O2 Mn1 N1 C1 65.6(15) . . . . ?
N2 Mn1 N1 C1 -20.4(15) 4_575 . . . ?
O4 Mn1 N1 C5 -22.5(17) . . . . ?
O3 Mn1 N1 C5 -17(6) . . . . ?
O1 Mn1 N1 C5 72.9(17) . . . . ?
O2 Mn1 N1 C5 -115.7(17) . . . . ?
N2 Mn1 N1 C5 158.3(16) 4_575 . . . ?
C5 N1 C1 C2 -1(3) . . . . ?
Mn1 N1 C1 C2 177.6(15) . . . . ?
N1 C1 C2 C3 -8(3) . . . . ?
C1 C2 C3 C4 9(3) . . . . ?
C1 C2 C3 C8 -177.7(17) . . . . ?
C2 C3 C4 C5 -2(3) . . . . ?
C8 C3 C4 C5 -175.4(19) . . . . ?
C3 C4 C5 N1 -8(3) . . . . ?
C1 N1 C5 C4 9(3) . . . . ?
Mn1 N1 C5 C4 -169.8(17) . . . . ?
C10 N2 C6 C7 -2(3) . . . . ?
Mn1 N2 C6 C7 -176.5(13) 4_676 . . . ?
N2 C6 C7 C8 2(3) . . . . ?
C6 C7 C8 C9 -2(2) . . . . ?
C6 C7 C8 C3 178.1(15) . . . . ?
C2 C3 C8 C9 152(2) . . . . ?
C4 C3 C8 C9 -34(3) . . . . ?
C2 C3 C8 C7 -28(2) . . . . ?
C4 C3 C8 C7 145.2(17) . . . . ?
C7 C8 C9 C10 3(3) . . . . ?
C3 C8 C9 C10 -176.9(17) . . . . ?
C6 N2 C10 C9 3(3) . . . . ?
Mn1 N2 C10 C9 177.2(14) 4_676 . . . ?
C8 C9 C10 N2 -4(3) . . . . ?
O4 Mn1 O1 S1 34.3(13) . . . . ?
O3 Mn1 O1 S1 123.9(13) . . . . ?
O2 Mn1 O1 S1 -156(3) . . . . ?
N1 Mn1 O1 S1 -51.0(13) . . . . ?
N2 Mn1 O1 S1 -145.8(13) 4_575 . . . ?
O4 Mn1 O2 S2 -84.6(16) . . . . ?
O3 Mn1 O2 S2 -173.9(15) . . . . ?
O1 Mn1 O2 S2 106(4) . . . . ?
N1 Mn1 O2 S2 1.0(16) . . . . ?
N2 Mn1 O2 S2 95.5(15) 4_575 . . . ?
O4 Mn1 O3 S3B -16.6(16) . . . . ?
O1 Mn1 O3 S3B -111.9(16) . . . . ?
O2 Mn1 O3 S3B 76.9(16) . . . . ?
N1 Mn1 O3 S3B -22(6) . . . . ?
N2 Mn1 O3 S3B 162.6(16) 4_575 . . . ?
O4 Mn1 O3 S3A -99.0(12) . . . . ?
O1 Mn1 O3 S3A 165.8(11) . . . . ?
O2 Mn1 O3 S3A -5.4(11) . . . . ?
N1 Mn1 O3 S3A -104(5) . . . . ?
N2 Mn1 O3 S3A 80.2(11) 4_575 . . . ?
O3 Mn1 O4 S4A 9.5(19) . . . . ?
O1 Mn1 O4 S4A 101.0(19) . . . . ?
O2 Mn1 O4 S4A -77.3(19) . . . . ?
N1 Mn1 O4 S4A -171.0(19) . . . . ?
N2 Mn1 O4 S4A -68(40) 4_575 . . . ?
O3 Mn1 O4 S4B -63.0(17) . . . . ?
O1 Mn1 O4 S4B 28.5(17) . . . . ?
O2 Mn1 O4 S4B -149.9(17) . . . . ?
N1 Mn1 O4 S4B 116.5(17) . . . . ?
N2 Mn1 O4 S4B -141(38) 4_575 . . . ?
Mn1 O1 S1 C12 121.7(18) . . . . ?
Mn1 O1 S1 C11 -132.8(17) . . . . ?
Mn1 O2 S2 C13 129.8(18) . . . . ?
Mn1 O2 S2 C14 -127.9(16) . . . . ?
S3B O3 S3A C16 -51.3(11) . . . . ?
Mn1 O3 S3A C16 78.0(13) . . . . ?
S3B O3 S3A C15 50.5(10) . . . . ?
Mn1 O3 S3A C15 179.7(11) . . . . ?
S3A O3 S3B C15 -54.0(11) . . . . ?
Mn1 O3 S3B C15 -168.8(12) . . . . ?
S3A O3 S3B C16 51.0(10) . . . . ?
Mn1 O3 S3B C16 -63.8(19) . . . . ?
S4B O4 S4A C17 50.1(15) . . . . ?
Mn1 O4 S4A C17 -67(2) . . . . ?
S4B O4 S4A C18 -64.7(12) . . . . ?
Mn1 O4 S4A C18 178.0(18) . . . . ?
S4A O4 S4B C17 -48.2(16) . . . . ?
Mn1 O4 S4B C17 75(2) . . . . ?
S4A O4 S4B C18 61.3(12) . . . . ?
Mn1 O4 S4B C18 -175.9(16) . . . . ?
O3 S3B C15 S3A 51.1(11) . . . . ?
C16 S3B C15 S3A -60.4(10) . . . . ?
O3 S3A C15 S3B -48.2(10) . . . . ?
C16 S3A C15 S3B 61.0(10) . . . . ?
O3 S3A C16 S3B 47.6(9) . . . . ?
C15 S3A C16 S3B -58.9(9) . . . . ?
O3 S3B C16 S3A -49.4(10) . . . . ?
C15 S3B C16 S3A 62.1(11) . . . . ?
O4 S4A C17 S4B -49.4(14) . . . . ?
C18 S4A C17 S4B 69.7(11) . . . . ?
O4 S4B C17 S4A 46.2(14) . . . . ?
C18 S4B C17 S4A -67.2(11) . . . . ?
O4 S4A C18 S4B 62.4(11) . . . . ?
C17 S4A C18 S4B -68.4(13) . . . . ?
O4 S4B C18 S4A -58.5(10) . . . . ?
C17 S4B C18 S4A 67.9(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.240
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.148
_database_code_depnum_ccdc_archive 'CCDC 995787'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H48 Ag10 I12 Mn N4 O8 S4'
_chemical_formula_sum            'C28 H48 Ag10 I12 Mn N4 O8 S4'
_chemical_formula_weight         3353.38

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'
O O 0.0106 0.0060 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   16.3520(11)
_cell_length_b                   7.8920(5)
_cell_length_c                   27.221(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.299(2)
_cell_angle_gamma                90.00
_cell_volume                     3456.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    14195
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      25.35

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3006
_exptl_absorpt_coefficient_mu    8.460
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1413
_exptl_absorpt_correction_T_max  0.4850
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27056
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         25.35
_reflns_number_total             6323
_reflns_number_gt                5589
_reflns_threshold_expression     >2sigma(I)


_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0253P)²+13.8268P] 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         6323
_refine_ls_number_parameters     309
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.0869
_refine_ls_wR_factor_gt          0.0836
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_restrained_S_all      1.193
_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 1.06947(5) 0.60169(10) 0.66713(3) 0.0436(2) Uani 1 1 d . . .
Ag2 Ag 0.87729(5) 0.60305(10) 0.66601(3) 0.0426(2) Uani 1 1 d . . .
Ag3 Ag 0.85234(5) 0.59874(10) 0.78887(3) 0.0422(2) Uani 1 1 d . . .
Ag4 Ag 1.03445(5) 0.61429(10) 0.85238(3) 0.0436(2) Uani 1 1 d . . .
Ag5 Ag 0.83330(5) 0.10074(10) 0.71950(3) 0.0419(2) Uani 1 1 d . . .
I1 I 0.99780(3) 0.46291(6) 0.75046(2) 0.03958(14) Uani 1 1 d . . .
I2 I 0.95188(4) 0.79080(7) 0.59808(2) 0.04397(16) Uani 1 1 d . . .
I3 I 0.75722(4) 0.77727(7) 0.70833(3) 0.04453(16) Uani 1 1 d . . .
I4 I 0.81124(4) 0.28574(7) 0.63037(2) 0.04600(15) Uani 1 1 d . . .
I5 I 0.89531(4) 0.78710(7) 0.87762(3) 0.04553(16) Uani 1 1 d . . .
I6 I 0.77938(4) 0.27543(7) 0.79778(3) 0.04779(16) Uani 1 1 d . . .
Mn1 Mn 0.5000 0.5000 0.5000 0.0260(4) Uani 1 2 d S . .
N1 N 0.4975(4) 0.5043(9) 0.4147(3) 0.0311(17) Uani 1 1 d . . .
N2 N 0.4766(5) 0.4606(10) 0.1523(3) 0.043(2) Uani 1 1 d . . .
O1 O 0.5975(4) 0.6831(7) 0.5068(2) 0.0381(15) Uani 1 1 d . . .
O2 O 0.4138(3) 0.7119(7) 0.4924(2) 0.0327(14) Uani 1 1 d D . .
H2A H 0.4280 0.7793 0.5158 0.039 Uiso 1 1 d RD . .
H2B H 0.3629 0.7008 0.4908 0.039 Uiso 1 1 d RD . .
S1 S 0.68602(15) 0.7007(3) 0.53563(10) 0.0393(6) Uani 1 1 d . . .
S2 S 0.81015(16) 0.2304(3) 0.49524(10) 0.0457(6) Uani 1 1 d . . .
C1 C 0.4299(5) 0.5504(12) 0.3825(4) 0.037(2) Uani 1 1 d . . .
H1 H 0.3838 0.5904 0.3954 0.045 Uiso 1 1 calc R . .
C2 C 0.4239(5) 0.5426(11) 0.3316(4) 0.034(2) Uani 1 1 d . . .
H2 H 0.3742 0.5746 0.3106 0.041 Uiso 1 1 calc R . .
C3 C 0.4910(5) 0.4879(11) 0.3112(3) 0.031(2) Uani 1 1 d . . .
C4 C 0.5610(6) 0.4417(13) 0.3447(4) 0.043(3) Uani 1 1 d . . .
H4 H 0.6082 0.4033 0.3328 0.052 Uiso 1 1 calc R . .
C5 C 0.5625(6) 0.4512(13) 0.3948(4) 0.042(2) Uani 1 1 d . . .
H5 H 0.6114 0.4191 0.4165 0.051 Uiso 1 1 calc R . .
C6 C 0.4862(5) 0.4752(10) 0.2564(3) 0.0286(19) Uani 1 1 d . . .
C7 C 0.5558(6) 0.4928(14) 0.2342(4) 0.049(3) Uani 1 1 d . . .
H7 H 0.6086 0.5101 0.2539 0.059 Uiso 1 1 calc R . .
C8 C 0.5464(7) 0.4846(14) 0.1833(4) 0.054(3) Uani 1 1 d . . .
H8 H 0.5946 0.4974 0.1693 0.064 Uiso 1 1 calc R . .
C9 C 0.4109(6) 0.4388(13) 0.1736(4) 0.048(3) Uani 1 1 d . . .
H9 H 0.3596 0.4172 0.1527 0.058 Uiso 1 1 calc R . .
C10 C 0.4123(6) 0.4458(13) 0.2244(4) 0.045(2) Uani 1 1 d . . .
H10 H 0.3630 0.4304 0.2370 0.053 Uiso 1 1 calc R . .
O3 O 0.7388(4) 0.3524(9) 0.4872(3) 0.058(2) Uani 1 1 d . . .
O4 O 0.5539(5) 1.0041(8) 0.4519(3) 0.058(2) Uani 1 1 d D . .
H4B H 0.5392 0.9804 0.4220 0.070 Uiso 1 1 d RD . .
H4A H 0.5560 0.9143 0.4673 0.070 Uiso 1 1 d RD . .
C11 C 0.6869(7) 0.8985(12) 0.5679(5) 0.063(3) Uani 1 1 d . . .
H11A H 0.6624 0.9856 0.5447 0.095 Uiso 1 1 calc R . .
H11B H 0.7437 0.9292 0.5818 0.095 Uiso 1 1 calc R . .
H11C H 0.6550 0.8880 0.5945 0.095 Uiso 1 1 calc R . .
C12 C 0.7434(7) 0.7590(16) 0.4884(5) 0.068(4) Uani 1 1 d . . .
H12A H 0.7390 0.6699 0.4635 0.092 Uiso 1 1 calc R . .
H12B H 0.8013 0.7756 0.5033 0.092 Uiso 1 1 calc R . .
H12C H 0.7210 0.8635 0.4726 0.092 Uiso 1 1 calc R . .
C13 C 0.8999(7) 0.3632(15) 0.5053(5) 0.063(3) Uani 1 1 d . . .
H13A H 0.8936 0.4516 0.4801 0.094 Uiso 1 1 calc R . .
H13B H 0.9488 0.2960 0.5029 0.094 Uiso 1 1 calc R . .
H13C H 0.9063 0.4142 0.5381 0.094 Uiso 1 1 calc R . .
C14 C 0.8182(9) 0.1584(19) 0.4354(5) 0.091(5) Uani 1 1 d . . .
H14A H 0.7703 0.0889 0.4224 0.127 Uiso 1 1 calc R . .
H14B H 0.8685 0.0919 0.4372 0.127 Uiso 1 1 calc R . .
H14C H 0.8203 0.2548 0.4135 0.127 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 I6 2.8385(10) 2_756 ?
Ag1 I2 2.8576(10) . ?
Ag1 I5 2.8688(10) 2_746 ?
Ag1 I1 2.9444(10) . ?
Ag1 Ag5 3.2088(13) 2_756 ?
Ag2 I3 2.8075(10) . ?
Ag2 I2 2.8123(10) . ?
Ag2 I4 2.8291(10) . ?
Ag2 I1 2.9618(11) . ?
Ag3 I5 2.8165(11) . ?
Ag3 I3 2.8268(11) . ?
Ag3 I6 2.8454(10) . ?
Ag3 I1 2.9646(10) . ?
Ag4 I4 2.8274(10) 2_756 ?
Ag4 I5 2.8403(10) . ?
Ag4 I2 2.8772(10) 2_746 ?
Ag4 I1 2.9814(11) . ?
Ag4 Ag5 3.1670(11) 2_756 ?
Ag5 I4 2.7992(11) . ?
Ag5 I6 2.8089(10) . ?
Ag5 I3 2.8323(10) 1_545 ?
Ag5 I1 2.9448(10) 2_746 ?
Ag5 Ag4 3.1670(11) 2_746 ?
Ag5 Ag1 3.2088(13) 2_746 ?
I1 Ag5 2.9448(10) 2_756 ?
I2 Ag4 2.8772(10) 2_756 ?
I3 Ag5 2.8323(10) 1_565 ?
I4 Ag4 2.8274(10) 2_746 ?
I5 Ag1 2.8688(10) 2_756 ?
I6 Ag1 2.8385(10) 2_746 ?
Mn1 O1 2.134(6) 3_666 ?
Mn1 O1 2.134(6) . ?
Mn1 O2 2.173(5) . ?
Mn1 O2 2.173(5) 3_666 ?
Mn1 N1 2.316(7) 3_666 ?
Mn1 N1 2.316(7) . ?
N1 C1 1.332(11) . ?
N1 C5 1.343(11) . ?
N2 C8 1.306(13) . ?
N2 C9 1.321(12) . ?
O1 S1 1.525(6) . ?
O2 H2A 0.8300 . ?
O2 H2B 0.8295 . ?
S1 C12 1.782(11) . ?
S1 C11 1.790(10) . ?
S2 O3 1.498(7) . ?
S2 C14 1.753(12) . ?
S2 C13 1.785(11) . ?
C1 C2 1.373(13) . ?
C1 H1 0.9400 . ?
C2 C3 1.384(11) . ?
C2 H2 0.9400 . ?
C3 C4 1.379(13) . ?
C3 C6 1.483(12) . ?
C4 C5 1.363(13) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C10 1.377(12) . ?
C6 C7 1.388(12) . ?
C7 C8 1.370(14) . ?
C7 H7 0.9400 . ?
C8 H8 0.9400 . ?
C9 C10 1.379(14) . ?
C9 H9 0.9400 . ?
C10 H10 0.9400 . ?
O4 H4B 0.8280 . ?
O4 H4A 0.8219 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?

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
I6 Ag1 I2 114.33(3) 2_756 . ?
I6 Ag1 I5 109.40(3) 2_756 2_746 ?
I2 Ag1 I5 109.59(3) . 2_746 ?
I6 Ag1 I1 111.29(3) 2_756 . ?
I2 Ag1 I1 112.79(3) . . ?
I5 Ag1 I1 98.22(3) 2_746 . ?
I6 Ag1 Ag5 54.94(2) 2_756 2_756 ?
I2 Ag1 Ag5 142.49(3) . 2_756 ?
I5 Ag1 Ag5 107.68(3) 2_746 2_756 ?
I1 Ag1 Ag5 56.99(2) . 2_756 ?
I3 Ag2 I2 115.41(3) . . ?
I3 Ag2 I4 108.79(3) . . ?
I2 Ag2 I4 115.14(4) . . ?
I3 Ag2 I1 106.34(3) . . ?
I2 Ag2 I1 113.61(3) . . ?
I4 Ag2 I1 95.50(3) . . ?
I5 Ag3 I3 114.86(3) . . ?
I5 Ag3 I6 116.38(4) . . ?
I3 Ag3 I6 109.40(3) . . ?
I5 Ag3 I1 113.60(3) . . ?
I3 Ag3 I1 105.76(3) . . ?
I6 Ag3 I1 94.64(3) . . ?
I4 Ag4 I5 117.37(3) 2_756 . ?
I4 Ag4 I2 110.77(3) 2_756 2_746 ?
I5 Ag4 I2 108.13(3) . 2_746 ?
I4 Ag4 I1 111.79(3) 2_756 . ?
I5 Ag4 I1 112.40(3) . . ?
I2 Ag4 I1 93.81(3) 2_746 . ?
I4 Ag4 Ag5 55.32(2) 2_756 2_756 ?
I5 Ag4 Ag5 146.16(4) . 2_756 ?
I2 Ag4 Ag5 104.79(3) 2_746 2_756 ?
I1 Ag4 Ag5 57.14(2) . 2_756 ?
I4 Ag5 I6 113.09(3) . . ?
I4 Ag5 I3 113.02(4) . 1_545 ?
I6 Ag5 I3 109.41(3) . 1_545 ?
I4 Ag5 I1 113.73(3) . 2_746 ?
I6 Ag5 I1 112.13(3) . 2_746 ?
I3 Ag5 I1 93.96(3) 1_545 2_746 ?
I4 Ag5 Ag4 56.17(2) . 2_746 ?
I6 Ag5 Ag4 142.54(4) . 2_746 ?
I3 Ag5 Ag4 107.42(3) 1_545 2_746 ?
I1 Ag5 Ag4 58.26(2) 2_746 2_746 ?
I4 Ag5 Ag1 142.87(4) . 2_746 ?
I6 Ag5 Ag1 55.81(3) . 2_746 ?
I3 Ag5 Ag1 103.77(3) 1_545 2_746 ?
I1 Ag5 Ag1 56.98(2) 2_746 2_746 ?
Ag4 Ag5 Ag1 108.57(3) 2_746 2_746 ?
Ag1 I1 Ag5 66.03(3) . 2_756 ?
Ag1 I1 Ag2 64.17(3) . . ?
Ag5 I1 Ag2 122.57(3) 2_756 . ?
Ag1 I1 Ag3 126.31(3) . . ?
Ag5 I1 Ag3 122.71(3) 2_756 . ?
Ag2 I1 Ag3 70.99(3) . . ?
Ag1 I1 Ag4 121.76(3) . . ?
Ag5 I1 Ag4 64.61(2) 2_756 . ?
Ag2 I1 Ag4 124.60(3) . . ?
Ag3 I1 Ag4 64.37(3) . . ?
Ag2 I2 Ag1 67.19(3) . . ?
Ag2 I2 Ag4 99.55(3) . 2_756 ?
Ag1 I2 Ag4 99.70(3) . 2_756 ?
Ag2 I3 Ag3 75.28(3) . . ?
Ag2 I3 Ag5 99.18(3) . 1_565 ?
Ag3 I3 Ag5 101.29(3) . 1_565 ?
Ag5 I4 Ag4 68.51(3) . 2_746 ?
Ag5 I4 Ag2 100.51(3) . . ?
Ag4 I4 Ag2 95.28(3) 2_746 . ?
Ag3 I5 Ag4 68.10(3) . . ?
Ag3 I5 Ag1 97.52(3) . 2_756 ?
Ag4 I5 Ag1 94.74(3) . 2_756 ?
Ag5 I6 Ag1 69.24(3) . 2_746 ?
Ag5 I6 Ag3 100.50(3) . . ?
Ag1 I6 Ag3 96.24(3) 2_746 . ?
O1 Mn1 O1 180.0(3) 3_666 . ?
O1 Mn1 O2 92.9(2) 3_666 . ?
O1 Mn1 O2 87.1(2) . . ?
O1 Mn1 O2 87.1(2) 3_666 3_666 ?
O1 Mn1 O2 92.9(2) . 3_666 ?
O2 Mn1 O2 180.000(2) . 3_666 ?
O1 Mn1 N1 87.5(2) 3_666 3_666 ?
O1 Mn1 N1 92.5(2) . 3_666 ?
O2 Mn1 N1 90.1(2) . 3_666 ?
O2 Mn1 N1 89.9(2) 3_666 3_666 ?
O1 Mn1 N1 92.5(2) 3_666 . ?
O1 Mn1 N1 87.5(2) . . ?
O2 Mn1 N1 89.9(2) . . ?
O2 Mn1 N1 90.1(2) 3_666 . ?
N1 Mn1 N1 180.000(1) 3_666 . ?
C1 N1 C5 116.4(8) . . ?
C1 N1 Mn1 121.8(5) . . ?
C5 N1 Mn1 121.7(6) . . ?
C8 N2 C9 114.8(9) . . ?
S1 O1 Mn1 137.1(4) . . ?
Mn1 O2 H2A 109.4 . . ?
Mn1 O2 H2B 123.4 . . ?
H2A O2 H2B 104.5 . . ?
O1 S1 C12 103.1(5) . . ?
O1 S1 C11 104.8(5) . . ?
C12 S1 C11 99.7(6) . . ?
O3 S2 C14 105.0(7) . . ?
O3 S2 C13 104.1(5) . . ?
C14 S2 C13 97.8(6) . . ?
N1 C1 C2 123.6(8) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 120.0(8) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 116.1(8) . . ?
C4 C3 C6 122.4(8) . . ?
C2 C3 C6 121.4(8) . . ?
C5 C4 C3 120.8(8) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
N1 C5 C4 123.1(9) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C10 C6 C7 115.8(9) . . ?
C10 C6 C3 122.1(8) . . ?
C7 C6 C3 122.0(8) . . ?
C8 C7 C6 118.9(10) . . ?
C8 C7 H7 120.6 . . ?
C6 C7 H7 120.6 . . ?
N2 C8 C7 126.1(9) . . ?
N2 C8 H8 117.0 . . ?
C7 C8 H8 117.0 . . ?
N2 C9 C10 124.4(10) . . ?
N2 C9 H9 117.8 . . ?
C10 C9 H9 117.8 . . ?
C6 C10 C9 119.9(9) . . ?
C6 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
H4B O4 H4A 106.6 . . ?
S1 C11 H11A 109.5 . . ?
S1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
S1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
S1 C12 H12A 109.5 . . ?
S1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
S1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
S2 C13 H13A 109.5 . . ?
S2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
S2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
S2 C14 H14A 109.5 . . ?
S2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
S2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?

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
I6 Ag1 I1 Ag5 -8.82(3) 2_756 . . 2_756 ?
I2 Ag1 I1 Ag5 -138.86(4) . . . 2_756 ?
I5 Ag1 I1 Ag5 105.79(3) 2_746 . . 2_756 ?
I6 Ag1 I1 Ag2 141.62(4) 2_756 . . . ?
I2 Ag1 I1 Ag2 11.58(3) . . . . ?
I5 Ag1 I1 Ag2 -103.77(3) 2_746 . . . ?
Ag5 Ag1 I1 Ag2 150.44(3) 2_756 . . . ?
I6 Ag1 I1 Ag3 105.21(4) 2_756 . . . ?
I2 Ag1 I1 Ag3 -24.83(5) . . . . ?
I5 Ag1 I1 Ag3 -140.18(3) 2_746 . . . ?
Ag5 Ag1 I1 Ag3 114.02(4) 2_756 . . . ?
I6 Ag1 I1 Ag4 25.37(4) 2_756 . . . ?
I2 Ag1 I1 Ag4 -104.67(4) . . . . ?
I5 Ag1 I1 Ag4 139.98(3) 2_746 . . . ?
Ag5 Ag1 I1 Ag4 34.18(3) 2_756 . . . ?
I3 Ag2 I1 Ag1 -139.88(4) . . . . ?
I2 Ag2 I1 Ag1 -11.84(3) . . . . ?
I4 Ag2 I1 Ag1 108.68(3) . . . . ?
I3 Ag2 I1 Ag5 -107.54(4) . . . 2_756 ?
I2 Ag2 I1 Ag5 20.51(5) . . . 2_756 ?
I4 Ag2 I1 Ag5 141.03(3) . . . 2_756 ?
I3 Ag2 I1 Ag3 9.73(3) . . . . ?
I2 Ag2 I1 Ag3 137.77(4) . . . . ?
I4 Ag2 I1 Ag3 -101.71(3) . . . . ?
I3 Ag2 I1 Ag4 -27.76(4) . . . . ?
I2 Ag2 I1 Ag4 100.28(4) . . . . ?
I4 Ag2 I1 Ag4 -139.20(3) . . . . ?
I5 Ag3 I1 Ag1 -102.10(4) . . . . ?
I3 Ag3 I1 Ag1 24.78(5) . . . . ?
I6 Ag3 I1 Ag1 136.44(4) . . . . ?
I5 Ag3 I1 Ag5 -19.41(5) . . . 2_756 ?
I3 Ag3 I1 Ag5 107.46(4) . . . 2_756 ?
I6 Ag3 I1 Ag5 -140.87(3) . . . 2_756 ?
I5 Ag3 I1 Ag2 -136.51(4) . . . . ?
I3 Ag3 I1 Ag2 -9.63(3) . . . . ?
I6 Ag3 I1 Ag2 102.03(3) . . . . ?
I5 Ag3 I1 Ag4 9.74(3) . . . . ?
I3 Ag3 I1 Ag4 136.61(4) . . . . ?
I6 Ag3 I1 Ag4 -111.72(3) . . . . ?
I4 Ag4 I1 Ag1 -25.63(5) 2_756 . . . ?
I5 Ag4 I1 Ag1 108.82(4) . . . . ?
I2 Ag4 I1 Ag1 -139.79(3) 2_746 . . . ?
Ag5 Ag4 I1 Ag1 -34.63(3) 2_756 . . . ?
I4 Ag4 I1 Ag5 9.00(3) 2_756 . . 2_756 ?
I5 Ag4 I1 Ag5 143.45(4) . . . 2_756 ?
I2 Ag4 I1 Ag5 -105.16(3) 2_746 . . 2_756 ?
I4 Ag4 I1 Ag2 -104.36(4) 2_756 . . . ?
I5 Ag4 I1 Ag2 30.09(5) . . . . ?
I2 Ag4 I1 Ag2 141.48(3) 2_746 . . . ?
Ag5 Ag4 I1 Ag2 -113.36(4) 2_756 . . . ?
I4 Ag4 I1 Ag3 -144.02(4) 2_756 . . . ?
I5 Ag4 I1 Ag3 -9.57(3) . . . . ?
I2 Ag4 I1 Ag3 101.82(3) 2_746 . . . ?
Ag5 Ag4 I1 Ag3 -153.02(3) 2_756 . . . ?
I3 Ag2 I2 Ag1 135.12(4) . . . . ?
I4 Ag2 I2 Ag1 -96.79(4) . . . . ?
I1 Ag2 I2 Ag1 11.91(3) . . . . ?
I3 Ag2 I2 Ag4 38.54(4) . . . 2_756 ?
I4 Ag2 I2 Ag4 166.63(3) . . . 2_756 ?
I1 Ag2 I2 Ag4 -84.66(4) . . . 2_756 ?
I6 Ag1 I2 Ag2 -140.38(4) 2_756 . . . ?
I5 Ag1 I2 Ag2 96.40(3) 2_746 . . . ?
I1 Ag1 I2 Ag2 -11.91(3) . . . . ?
Ag5 Ag1 I2 Ag2 -76.88(5) 2_756 . . . ?
I6 Ag1 I2 Ag4 -44.03(4) 2_756 . . 2_756 ?
I5 Ag1 I2 Ag4 -167.25(3) 2_746 . . 2_756 ?
I1 Ag1 I2 Ag4 84.44(4) . . . 2_756 ?
Ag5 Ag1 I2 Ag4 19.47(6) 2_756 . . 2_756 ?
I2 Ag2 I3 Ag3 -136.94(4) . . . . ?
I4 Ag2 I3 Ag3 91.87(4) . . . . ?
I1 Ag2 I3 Ag3 -9.97(3) . . . . ?
I2 Ag2 I3 Ag5 -37.59(4) . . . 1_565 ?
I4 Ag2 I3 Ag5 -168.77(3) . . . 1_565 ?
I1 Ag2 I3 Ag5 89.38(3) . . . 1_565 ?
I5 Ag3 I3 Ag2 136.05(4) . . . . ?
I6 Ag3 I3 Ag2 -90.93(3) . . . . ?
I1 Ag3 I3 Ag2 9.94(3) . . . . ?
I5 Ag3 I3 Ag5 39.40(4) . . . 1_565 ?
I6 Ag3 I3 Ag5 172.42(3) . . . 1_565 ?
I1 Ag3 I3 Ag5 -86.71(3) . . . 1_565 ?
I6 Ag5 I4 Ag4 138.85(4) . . . 2_746 ?
I3 Ag5 I4 Ag4 -96.14(4) 1_545 . . 2_746 ?
I1 Ag5 I4 Ag4 9.44(3) 2_746 . . 2_746 ?
Ag1 Ag5 I4 Ag4 75.52(6) 2_746 . . 2_746 ?
I6 Ag5 I4 Ag2 47.27(4) . . . . ?
I3 Ag5 I4 Ag2 172.28(3) 1_545 . . . ?
I1 Ag5 I4 Ag2 -82.13(4) 2_746 . . . ?
Ag4 Ag5 I4 Ag2 -91.58(3) 2_746 . . . ?
Ag1 Ag5 I4 Ag2 -16.06(6) 2_746 . . . ?
I3 Ag2 I4 Ag5 -79.61(4) . . . . ?
I2 Ag2 I4 Ag5 149.06(3) . . . . ?
I1 Ag2 I4 Ag5 29.74(3) . . . . ?
I3 Ag2 I4 Ag4 -148.69(3) . . . 2_746 ?
I2 Ag2 I4 Ag4 79.98(4) . . . 2_746 ?
I1 Ag2 I4 Ag4 -39.34(3) . . . 2_746 ?
I3 Ag3 I5 Ag4 -131.89(4) . . . . ?
I6 Ag3 I5 Ag4 98.44(4) . . . . ?
I1 Ag3 I5 Ag4 -9.94(3) . . . . ?
I3 Ag3 I5 Ag1 -39.79(4) . . . 2_756 ?
I6 Ag3 I5 Ag1 -169.46(3) . . . 2_756 ?
I1 Ag3 I5 Ag1 82.17(4) . . . 2_756 ?
I4 Ag4 I5 Ag3 141.51(4) 2_756 . . . ?
I2 Ag4 I5 Ag3 -92.36(3) 2_746 . . . ?
I1 Ag4 I5 Ag3 9.79(3) . . . . ?
Ag5 Ag4 I5 Ag3 73.73(7) 2_756 . . . ?
I4 Ag4 I5 Ag1 45.30(4) 2_756 . . 2_756 ?
I2 Ag4 I5 Ag1 171.43(3) 2_746 . . 2_756 ?
I1 Ag4 I5 Ag1 -86.42(4) . . . 2_756 ?
Ag5 Ag4 I5 Ag1 -22.48(7) 2_756 . . 2_756 ?
I4 Ag5 I6 Ag1 -139.30(4) . . . 2_746 ?
I3 Ag5 I6 Ag1 93.76(3) 1_545 . . 2_746 ?
I1 Ag5 I6 Ag1 -9.09(3) 2_746 . . 2_746 ?
Ag4 Ag5 I6 Ag1 -75.32(6) 2_746 . . 2_746 ?
I4 Ag5 I6 Ag3 -46.55(4) . . . . ?
I3 Ag5 I6 Ag3 -173.48(3) 1_545 . . . ?
I1 Ag5 I6 Ag3 83.67(4) 2_746 . . . ?
Ag4 Ag5 I6 Ag3 17.43(7) 2_746 . . . ?
Ag1 Ag5 I6 Ag3 92.75(3) 2_746 . . . ?
I5 Ag3 I6 Ag5 -150.24(4) . . . . ?
I3 Ag3 I6 Ag5 77.53(4) . . . . ?
I1 Ag3 I6 Ag5 -30.99(3) . . . . ?
I5 Ag3 I6 Ag1 -80.26(4) . . . 2_746 ?
I3 Ag3 I6 Ag1 147.51(3) . . . 2_746 ?
I1 Ag3 I6 Ag1 38.99(3) . . . 2_746 ?
O1 Mn1 N1 C1 60.8(7) 3_666 . . . ?
O1 Mn1 N1 C1 -119.2(7) . . . . ?
O2 Mn1 N1 C1 -32.1(7) . . . . ?
O2 Mn1 N1 C1 147.9(7) 3_666 . . . ?
N1 Mn1 N1 C1 -135(84) 3_666 . . . ?
O1 Mn1 N1 C5 -115.3(7) 3_666 . . . ?
O1 Mn1 N1 C5 64.7(7) . . . . ?
O2 Mn1 N1 C5 151.7(7) . . . . ?
O2 Mn1 N1 C5 -28.3(7) 3_666 . . . ?
N1 Mn1 N1 C5 49(84) 3_666 . . . ?
O1 Mn1 O1 S1 -141(100) 3_666 . . . ?
O2 Mn1 O1 S1 144.9(6) . . . . ?
O2 Mn1 O1 S1 -35.1(6) 3_666 . . . ?
N1 Mn1 O1 S1 54.9(6) 3_666 . . . ?
N1 Mn1 O1 S1 -125.1(6) . . . . ?
Mn1 O1 S1 C12 130.1(6) . . . . ?
Mn1 O1 S1 C11 -126.0(6) . . . . ?
C5 N1 C1 C2 1.3(14) . . . . ?
Mn1 N1 C1 C2 -175.0(7) . . . . ?
N1 C1 C2 C3 -1.4(14) . . . . ?
C1 C2 C3 C4 0.7(13) . . . . ?
C1 C2 C3 C6 179.0(8) . . . . ?
C2 C3 C4 C5 -0.2(14) . . . . ?
C6 C3 C4 C5 -178.4(9) . . . . ?
C1 N1 C5 C4 -0.8(15) . . . . ?
Mn1 N1 C5 C4 175.6(8) . . . . ?
C3 C4 C5 N1 0.2(16) . . . . ?
C4 C3 C6 C10 150.1(10) . . . . ?
C2 C3 C6 C10 -28.1(13) . . . . ?
C4 C3 C6 C7 -30.1(14) . . . . ?
C2 C3 C6 C7 151.7(9) . . . . ?
C10 C6 C7 C8 1.7(15) . . . . ?
C3 C6 C7 C8 -178.1(9) . . . . ?
C9 N2 C8 C7 -1.7(17) . . . . ?
C6 C7 C8 N2 -0.3(18) . . . . ?
C8 N2 C9 C10 2.2(16) . . . . ?
C7 C6 C10 C9 -1.3(14) . . . . ?
C3 C6 C10 C9 178.6(9) . . . . ?
N2 C9 C10 C6 -0.7(17) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4A O1 0.82 2.16 2.964(9) 164.2 .
O4 H4B N2 0.83 2.00 2.811(11) 167.1 2_655
O2 H2B S2 0.83 2.97 3.764(6) 160.4 3_666
O2 H2B O3 0.83 1.91 2.699(9) 157.8 3_666
O2 H2A O4 0.83 1.92 2.704(9) 157.0 3_676

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.841
_refine_diff_density_min         -1.053
_refine_diff_density_rms         0.178
_database_code_depnum_ccdc_archive 'CCDC 995788'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C45 H79 Ag10 I14 Mn2 N11 O10 S2'
_chemical_formula_sum            'C45 H79 Ag10 I14 Mn2 N11 O10 S2'
_chemical_formula_weight         3963.49

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'
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'
Mn Mn 0.3368 0.7283 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

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

_cell_length_a                   13.0276(18)
_cell_length_b                   16.091(2)
_cell_length_c                   22.994(5)
_cell_angle_alpha                86.670(14)
_cell_angle_beta                 86.076(14)
_cell_angle_gamma                73.569(11)
_cell_volume                     4608.8(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    20568
_cell_measurement_theta_min      3.0230
_cell_measurement_theta_max      25.35

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3600
_exptl_absorpt_coefficient_mu    7.118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1630
_exptl_absorpt_correction_T_max  0.6747
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(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  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 14.63
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            36645
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.35
_reflns_number_total             16758
_reflns_number_gt                8822
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       CrystalClear
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.2000P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.0047(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         16758
_refine_ls_number_parameters     699
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0584
_refine_ls_wR_factor_ref         0.1418
_refine_ls_wR_factor_gt          0.1035
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.124
_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 0.1575(3) -0.0930(2) 0.32046(17) 0.0762(10) Uani 1 1 d . . .
Ag2 Ag -0.0100(5) -0.0758(5) 0.2202(2) 0.0718(3) Uani 1 1 d . . .
Ag3 Ag -0.0292(2) 0.1298(2) 0.17502(14) 0.0729(10) Uani 1 1 d . . .
Ag4 Ag 0.0909(2) 0.12878(18) 0.29622(13) 0.0762(8) Uani 1 1 d . . .
Ag5 Ag 0.0869(2) 0.3504(2) 0.17325(16) 0.0715(12) Uani 1 1 d . . .
Ag6 Ag -0.0537(2) 0.34307(19) 0.29727(16) 0.0722(10) Uani 1 1 d . . .
Ag7 Ag 0.0768(5) 0.5391(5) 0.2198(2) 0.0750(3) Uani 1 1 d . . .
Ag8 Ag -0.1182(3) 0.5519(2) 0.3222(2) 0.0749(13) Uani 1 1 d . . .
Ag9 Ag -0.0804(5) 0.7324(4) 0.2755(3) 0.0729(3) Uani 1 1 d . . .
Ag10 Ag 0.1372(5) 0.7159(4) 0.2946(4) 0.0774(3) Uani 1 1 d . . .
I1 I 0.17207(16) -0.00385(15) 0.20632(11) 0.0784(7) Uani 1 1 d . . .
I2 I 0.16529(18) 0.03253(14) 0.39858(11) 0.0734(7) Uani 1 1 d . . .
I3 I -0.0554(3) -0.1199(3) 0.33992(14) 0.0728(13) Uani 1 1 d . . .
I4 I 0.3201(3) -0.25138(18) 0.3158(2) 0.0764(17) Uani 1 1 d . . .
I5 I -0.1466(3) 0.0226(4) 0.13754(16) 0.0741(19) Uani 1 1 d . . .
I6 I -0.13452(15) 0.19837(14) 0.28142(11) 0.0728(6) Uani 1 1 d . . .
I7 I 0.0378(2) 0.2430(2) 0.09648(12) 0.0710(10) Uani 1 1 d . . .
I8 I 0.17399(15) 0.27560(14) 0.28122(10) 0.0680(7) Uani 1 1 d . . .
I9 I -0.11741(19) 0.48417(16) 0.20603(14) 0.0732(10) Uani 1 1 d . . .
I10 I 0.2122(3) 0.4615(3) 0.12899(14) 0.0750(17) Uani 1 1 d . . .
I11 I -0.15690(18) 0.42192(16) 0.40048(14) 0.0729(9) Uani 1 1 d . . .
I12 I 0.0550(9) 0.7355(4) 0.17902(17) 0.0715(7) Uani 1 1 d . . .
I13 I 0.09946(18) 0.55901(19) 0.33913(11) 0.0679(8) Uani 1 1 d . . .
I14 I -0.2720(3) 0.7154(2) 0.3157(3) 0.0699(3) Uani 1 1 d . . .
Mn1 Mn 0.4918(3) 0.7656(3) 0.5737(2) 0.0741(16) Uani 1 1 d . . .
Mn2 Mn 0.4626(4) 0.2432(3) 0.9239(3) 0.0843(2) Uani 1 1 d D . .
C1 C 0.5837(19) 0.623(2) 0.6672(15) 0.072(12) Uani 1 1 d D . .
H1 H 0.6486 0.6344 0.6541 0.100 Uiso 1 1 calc R . .
C2 C 0.585(2) 0.5628(19) 0.7119(13) 0.071(9) Uani 1 1 d D . .
H2 H 0.6474 0.5392 0.7325 0.082 Uiso 1 1 calc R . .
C3 C 0.4937(14) 0.5373(16) 0.7261(11) 0.077(8) Uani 1 1 d D . .
C4 C 0.402(2) 0.580(2) 0.6991(17) 0.075(15) Uani 1 1 d D . .
H4 H 0.3371 0.5659 0.7087 0.114 Uiso 1 1 calc R . .
C5 C 0.4067(15) 0.6435(15) 0.6579(15) 0.070(11) Uani 1 1 d D . .
H5 H 0.3433 0.6730 0.6397 0.084 Uiso 1 1 calc R . .
C6 C 0.4848(17) 0.4735(11) 0.7775(11) 0.067(11) Uani 1 1 d D . .
C7 C 0.563(2) 0.4442(19) 0.8160(15) 0.076(15) Uani 1 1 d D . .
H7 H 0.6233 0.4651 0.8136 0.116 Uiso 1 1 calc R . .
C8 C 0.551(3) 0.384(2) 0.8582(18) 0.079(19) Uani 1 1 d D . .
H8 H 0.5966 0.3742 0.8895 0.113 Uiso 1 1 calc R . .
C9 C 0.419(2) 0.4224(19) 0.7744(16) 0.075(13) Uani 1 1 d D . .
H9 H 0.3740 0.4319 0.7428 0.102 Uiso 1 1 calc R . .
C10 C 0.413(2) 0.3581(18) 0.8147(12) 0.074(10) Uani 1 1 d D . .
H10 H 0.3624 0.3273 0.8120 0.088 Uiso 1 1 calc R . .
C11 C 0.567(2) 0.879(3) 0.656(2) 0.082(2) Uani 1 1 d D . .
H11 H 0.6324 0.8492 0.6368 0.112 Uiso 1 1 calc R . .
C12 C 0.564(2) 0.937(2) 0.697(2) 0.073(2) Uani 1 1 d D . .
H12 H 0.6277 0.9446 0.7091 0.114 Uiso 1 1 calc R . .
C13 C 0.467(2) 0.984(2) 0.7216(19) 0.074(2) Uani 1 1 d D . .
C14 C 0.379(2) 0.961(2) 0.7085(17) 0.077(8) Uani 1 1 d D . .
H14 H 0.3137 0.9865 0.7288 0.116 Uiso 1 1 calc R . .
C15 C 0.3807(19) 0.903(2) 0.6675(16) 0.077(8) Uani 1 1 d D . .
H15 H 0.3178 0.8907 0.6575 0.116 Uiso 1 1 calc R . .
C16 C 0.462(3) 1.049(2) 0.7681(16) 0.083(9) Uani 1 1 d D . .
C17 C 0.540(3) 1.091(2) 0.7708(16) 0.079(9) Uani 1 1 d D . .
H17 H 0.5963 1.0816 0.7420 0.119 Uiso 1 1 calc R . .
C18 C 0.537(3) 1.146(2) 0.8141(17) 0.081(9) Uani 1 1 d D . .
H18 H 0.5928 1.1715 0.8196 0.119 Uiso 1 1 calc R . .
C19 C 0.387(3) 1.064(2) 0.814(2) 0.082(9) Uani 1 1 d D . .
C20A C 0.357(3) 1.142(3) 0.839(3) 0.081(9) Uani 0.55 1 d PD . .
C20B C 0.406(7) 1.097(4) 0.865(3) 0.079(9) Uani 0.45 1 d PD . .
N1 N 0.4953(15) 0.6666(16) 0.6416(12) 0.070(8) Uani 1 1 d D . .
N2 N 0.481(2) 0.338(2) 0.8583(16) 0.069(14) Uani 1 1 d D . .
N3 N 0.4753(15) 0.8641(19) 0.6425(14) 0.077(8) Uani 1 1 d D . .
N4 N 0.449(3) 1.1602(17) 0.8469(16) 0.077(9) Uani 1 1 d D . .
O1 O 0.6627(16) 0.7324(19) 0.5672(11) 0.078(8) Uani 1 1 d D . .
O2 O 0.5057(16) 0.6758(16) 0.5129(14) 0.075(10) Uani 1 1 d D . .
O3 O 0.3212(14) 0.7942(12) 0.5658(10) 0.078(3) Uani 1 1 d D . .
O4 O 0.5031(17) 0.8628(16) 0.5132(9) 0.068(13) Uani 1 1 d D . .
O5 O 0.432(4) 0.148(2) 0.991(2) 0.078(4) Uani 1 1 d D . .
O6 O 0.6312(16) 0.191(4) 0.9204(16) 0.079(3) Uani 1 1 d D . .
O7 O 0.293(2) 0.294(2) 0.9210(14) 0.081(15) Uani 1 1 d D . .
O8 O 0.458(3) 0.332(2) 0.9947(12) 0.074(12) Uani 1 1 d . . .
O9 O 0.466(4) 0.7981(19) 0.867(2) 0.083(19) Uani 1 1 d D . .
S1 S 0.2562(6) 0.8537(6) 0.5214(5) 0.078(3) Uani 1 1 d D . .
S2 S 0.5689(7) 0.8408(7) 0.4565(6) 0.074(5) Uani 1 1 d D . .
N5 N 0.8250(18) 0.681(2) 0.5242(13) 0.078(11) Uani 1 1 d D . .
N6 N 0.4407(19) 0.5947(14) 0.4531(14) 0.074(2) Uani 1 1 d D . .
N7 N 0.390(4) 0.115(2) 1.0777(19) 0.079(4) Uani 1 1 d D . .
N8 N 0.759(3) 0.110(3) 0.966(2) 0.087(3) Uani 1 1 d D . .
N9 N 0.1388(17) 0.361(2) 0.9538(15) 0.081(15) Uani 1 1 d D . .
N10 N 0.431(4) 0.6858(19) 0.8515(16) 0.084(19) Uani 1 1 d D . .
C21 C 0.7224(19) 0.685(2) 0.5301(15) 0.074(17) Uani 1 1 d D . .
H21 H 0.6941 0.6517 0.5065 0.110 Uiso 1 1 calc R . .
C22 C 0.858(4) 0.757(3) 0.534(2) 0.078(3) Uani 1 1 d D . .
H22A H 0.9319 0.7399 0.5441 0.110 Uiso 1 1 calc R . .
H22B H 0.8129 0.7888 0.5652 0.110 Uiso 1 1 calc R . .
H22C H 0.8504 0.7936 0.4984 0.110 Uiso 1 1 calc R . .
C23 C 0.900(3) 0.616(3) 0.490(3) 0.084(5) Uani 1 1 d D . .
H23A H 0.9303 0.5656 0.5147 0.127 Uiso 1 1 calc R . .
H23B H 0.9569 0.6396 0.4731 0.127 Uiso 1 1 calc R . .
H23C H 0.8632 0.6003 0.4590 0.127 Uiso 1 1 calc R . .
C24 C 0.435(2) 0.6486(17) 0.495(2) 0.073(4) Uani 1 1 d D . .
H24 H 0.3663 0.6698 0.5130 0.114 Uiso 1 1 calc R . .
C25 C 0.530(2) 0.581(3) 0.410(2) 0.077(19) Uani 1 1 d D . .
H25A H 0.5208 0.6319 0.3839 0.116 Uiso 1 1 calc R . .
H25B H 0.5333 0.5310 0.3877 0.116 Uiso 1 1 calc R . .
H25C H 0.5965 0.5713 0.4296 0.116 Uiso 1 1 calc R . .
C26 C 0.365(3) 0.548(3) 0.4437(16) 0.080(16) Uani 1 1 d D . .
H26A H 0.2935 0.5814 0.4572 0.121 Uiso 1 1 calc R . .
H26B H 0.3839 0.4925 0.4651 0.121 Uiso 1 1 calc R . .
H26C H 0.3649 0.5385 0.4024 0.121 Uiso 1 1 calc R . .
C27 C 0.1697(19) 0.9364(15) 0.5606(13) 0.080(3) Uani 1 1 d D . .
H27A H 0.1422 0.9121 0.5958 0.122 Uiso 1 1 calc R . .
H27B H 0.1106 0.9668 0.5369 0.122 Uiso 1 1 calc R . .
H27C H 0.2080 0.9767 0.5709 0.122 Uiso 1 1 calc R . .
C28 C 0.172(2) 0.7963(18) 0.4993(16) 0.078(3) Uani 1 1 d D . .
H28A H 0.1682 0.7513 0.5286 0.122 Uiso 1 1 calc R . .
H28B H 0.2006 0.7700 0.4625 0.122 Uiso 1 1 calc R . .
H28C H 0.1013 0.8354 0.4945 0.122 Uiso 1 1 calc R . .
C29 C 0.468(4) 0.882(3) 0.408(2) 0.084(3) Uani 1 1 d D . .
H29A H 0.4203 0.8449 0.4097 0.128 Uiso 1 1 calc R . .
H29B H 0.4998 0.8831 0.3684 0.128 Uiso 1 1 calc R . .
H29C H 0.4277 0.9401 0.4180 0.128 Uiso 1 1 calc R . .
C30 C 0.637(3) 0.921(2) 0.448(2) 0.075(2) Uani 1 1 d D . .
H30A H 0.5931 0.9733 0.4663 0.119 Uiso 1 1 calc R . .
H30B H 0.6496 0.9335 0.4070 0.119 Uiso 1 1 calc R . .
H30C H 0.7044 0.9007 0.4667 0.119 Uiso 1 1 calc R . .
C31A C 0.399(8) 0.177(3) 1.039(2) 0.088(4) Uani 0.58 1 d PD . .
C31B C 0.354(3) 0.151(6) 1.026(3) 0.091(4) Uani 0.42 1 d PD . .
C32A C 0.361(7) 0.040(3) 1.060(3) 0.085(4) Uani 0.58 1 d PD . .
C32B C 0.338(6) 0.055(6) 1.108(5) 0.086(4) Uani 0.42 1 d PD . .
C33A C 0.346(9) 0.138(4) 1.136(2) 0.082(4) Uani 0.58 1 d PD . .
C33B C 0.505(4) 0.085(6) 1.084(4) 0.088(4) Uani 0.42 1 d PD . .
C34 C 0.682(2) 0.183(3) 0.966(2) 0.086(3) Uani 1 1 d D . .
H34 H 0.6664 0.2240 0.9953 0.122 Uiso 1 1 calc R . .
C35 C 0.868(3) 0.110(5) 0.951(3) 0.086(3) Uani 1 1 d D . .
H35A H 0.8693 0.1628 0.9291 0.120 Uiso 1 1 calc R . .
H35B H 0.9022 0.0604 0.9271 0.120 Uiso 1 1 calc R . .
H35C H 0.9068 0.1050 0.9861 0.120 Uiso 1 1 calc R . .
C36 C 0.751(7) 0.038(4) 1.006(3) 0.076(3) Uani 1 1 d D . .
H36A H 0.6821 0.0537 1.0276 0.110 Uiso 1 1 calc R . .
H36B H 0.8080 0.0261 1.0328 0.110 Uiso 1 1 calc R . .
H36C H 0.7573 -0.0124 0.9837 0.110 Uiso 1 1 calc R . .
C37 C 0.2434(16) 0.337(3) 0.9615(16) 0.081(15) Uani 1 1 d D . .
H37 H 0.2750 0.3514 0.9937 0.118 Uiso 1 1 calc R . .
C38A C 0.089(5) 0.300(4) 0.931(4) 0.081(15) Uani 0.52 1 d PD . .
C38B C 0.099(4) 0.346(7) 0.899(3) 0.078(15) Uani 0.48 1 d PD . .
C39A C 0.087(4) 0.450(3) 0.933(4) 0.082(15) Uani 0.52 1 d PD . .
C39B C 0.066(3) 0.432(5) 0.984(4) 0.085(15) Uani 0.48 1 d PD . .
C40 C 0.463(6) 0.728(4) 0.8940(18) 0.076(19) Uani 1 1 d D . .
H40 H 0.4783 0.7092 0.9328 0.118 Uiso 1 1 calc R . .
C41 C 0.342(5) 0.649(5) 0.868(3) 0.071(19) Uani 1 1 d D . .
H41A H 0.2904 0.6638 0.8384 0.113 Uiso 1 1 calc R . .
H41B H 0.3081 0.6721 0.9051 0.113 Uiso 1 1 calc R . .
H41C H 0.3693 0.5863 0.8728 0.13 Uiso 1 1 calc R . .
C42 C 0.418(6) 0.735(4) 0.7951(15) 0.077(19) Uani 1 1 d D . .
H42A H 0.3477 0.7767 0.7953 0.113 Uiso 1 1 calc R . .
H42B H 0.4256 0.6958 0.7638 0.113 Uiso 1 1 calc R . .
H42C H 0.4726 0.7659 0.7893 0.113 Uiso 1 1 calc R . .
O10 O 0.237(7) 0.659(4) 1.005(2) 0.136(4) Uani 1 1 d D . .
N11 N 0.265(6) 0.556(4) 0.954(3) 0.134(4) Uani 1 1 d D . .
C43 C 0.206(7) 0.636(4) 0.962(3) 0.138(4) Uani 1 1 d D . .
C44 C 0.212(9) 0.490(5) 0.944(4) 0.147(4) Uani 1 1 d D . .
C45 C 0.367(6) 0.520(5) 0.978(4) 0.136(4) Uani 1 1 d 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 I2 2.807(4) . ?
Ag1 I4 2.817(4) . ?
Ag1 I3 2.928(4) . ?
Ag1 I1 2.938(4) . ?
Ag1 Ag10 3.251(6) 1_545 ?
Ag2 I5 2.794(8) . ?
Ag2 I3 2.867(6) . ?
Ag2 I1 2.912(4) . ?
Ag2 I12 3.099(9) 1_545 ?
Ag3 I7 2.764(4) . ?
Ag3 I5 2.812(4) . ?
Ag3 I6 2.843(4) . ?
Ag3 I1 2.985(4) . ?
Ag4 I2 2.814(3) . ?
Ag4 I8 2.859(3) . ?
Ag4 I6 2.868(3) . ?
Ag4 I1 2.980(4) . ?
Ag5 I7 2.766(5) . ?
Ag5 I10 2.847(4) . ?
Ag5 I8 2.858(4) . ?
Ag5 I9 2.993(5) . ?
Ag6 I11 2.828(5) . ?
Ag6 I8 2.862(4) . ?
Ag6 I6 2.863(3) . ?
Ag6 I9 2.977(4) . ?
Ag7 I10 2.754(8) . ?
Ag7 I13 2.825(5) . ?
Ag7 I9 2.947(5) . ?
Ag7 I12 3.184(8) . ?
Ag8 I11 2.812(5) . ?
Ag8 I14 2.824(4) . ?
Ag8 I13 2.924(4) . ?
Ag8 I9 2.940(5) . ?
Ag9 I14 2.682(8) . ?
Ag9 I12 2.746(10) . ?
Ag9 I3 2.976(7) 1_565 ?
Ag10 I4 2.663(7) 1_565 ?
Ag10 I13 2.828(6) . ?
Ag10 I12 2.900(10) . ?
Ag10 I3 3.251(8) 1_565 ?
Ag10 Ag1 3.251(6) 1_565 ?
I3 Ag9 2.976(7) 1_545 ?
I3 Ag10 3.251(8) 1_545 ?
I4 Ag10 2.663(7) 1_545 ?
I12 Ag2 3.099(9) 1_565 ?
Mn1 O2 2.03(3) . ?
Mn1 O4 2.063(2) . ?
Mn1 O1 2.13(2) . ?
Mn1 O3 2.157(17) . ?
Mn1 N1 2.16(2) . ?
Mn1 N3 2.26(3) . ?
Mn2 O6 2.116(2) . ?
Mn2 O7 2.13(3) . ?
Mn2 N2 2.14(3) . ?
Mn2 O5 2.21(3) . ?
Mn2 O8 2.22(4) . ?
Mn2 N4 2.32(4) 1_545 ?
C1 N1 1.32(2) . ?
C1 C2 1.37(2) . ?
C1 H1 0.9400 . ?
C2 C3 1.38(5) . ?
C2 H2 0.9400 . ?
C3 C4 1.37(5) . ?
C3 C6 1.54(3) . ?
C4 C5 1.36(3) . ?
C4 H4 0.9400 . ?
C5 N1 1.333(17) . ?
C5 H5 0.9400 . ?
C6 C7 1.36(3) . ?
C6 C9 1.36(3) . ?
C7 C8 1.36(5) . ?
C7 H7 0.9400 . ?
C8 N2 1.33(3) . ?
C8 H8 0.9400 . ?
C9 C10 1.36(2) . ?
C9 H9 0.9400 . ?
C10 N2 1.34(2) . ?
C10 H10 0.9400 . ?
C11 N3 1.34(2) . ?
C11 C12 1.36(5) . ?
C11 H11 0.9400 . ?
C12 C13 1.37(3) . ?
C12 H12 0.9400 . ?
C13 C14 1.36(3) . ?
C13 C16 1.53(3) . ?
C14 C15 1.36(3) . ?
C14 H14 0.9400 . ?
C15 N3 1.32(3) . ?
C15 H15 0.9400 . ?
C16 C17 1.38(5) . ?
C16 C19 1.37(3) . ?
C17 C18 1.36(4) . ?
C17 H17 0.9400 . ?
C18 N4 1.30(5) . ?
C18 H18 0.9400 . ?
C19 C20A 1.36(2) . ?
C19 C20B 1.37(2) . ?
C20A N4 1.34(2) . ?
C20B N4 1.32(2) . ?
N4 Mn2 2.32(4) 1_565 ?
O1 C21 1.25(3) . ?
O2 C24 1.23(4) . ?
O3 S1 1.492(14) . ?
O4 S2 1.513(18) . ?
O5 C31A 1.241(19) . ?
O5 C31B 1.26(2) . ?
O6 C34 1.26(5) . ?
O7 C37 1.23(4) . ?
O9 C40 1.26(7) . ?
S1 C28 1.733(17) . ?
S1 C27 1.733(18) . ?
S2 C29 1.74(3) . ?
S2 C30 1.75(5) . ?
N5 C21 1.32(5) . ?
N5 C22 1.44(5) . ?
N5 C23 1.44(5) . ?
N6 C24 1.32(4) . ?
N6 C26 1.44(5) . ?
N6 C25 1.45(5) . ?
N7 C31A 1.315(18) . ?
N7 C31B 1.340(19) . ?
N7 C32A 1.451(19) . ?
N7 C33B 1.456(19) . ?
N7 C32B 1.456(19) . ?
N7 C33A 1.461(18) . ?
N8 C34 1.31(6) . ?
N8 C35 1.44(6) . ?
N8 C36 1.45(8) . ?
N9 C37 1.33(5) . ?
N9 C39B 1.448(18) . ?
N9 C38B 1.455(18) . ?
N9 C38A 1.456(18) . ?
N9 C39A 1.462(18) . ?
N10 C40 1.37(8) . ?
N10 C41 1.46(9) . ?
N10 C42 1.47(8) . ?
C21 H21 0.9400 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24 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 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C29 H29A 0.9702 . ?
C29 H29B 0.9702 . ?
C29 H29C 0.9702 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C34 H34 0.9400 . ?
C35 H35A 0.9754 . ?
C35 H35B 0.9754 . ?
C35 H35C 0.9756 . ?
C36 H36A 0.9738 . ?
C36 H36B 0.9739 . ?
C36 H36C 0.9738 . ?
C37 H37 0.9400 . ?
C40 H40 0.9400 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9799 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9797 . ?
O10 C43 1.21(9) . ?
N11 C43 1.32(8) . ?
N11 C45 1.45(9) . ?
N11 C44 1.46(9) . ?

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
I2 Ag1 I4 120.46(16) . . ?
I2 Ag1 I3 106.11(14) . . ?
I4 Ag1 I3 111.75(14) . . ?
I2 Ag1 I1 102.61(11) . . ?
I4 Ag1 I1 105.79(16) . . ?
I3 Ag1 I1 109.45(14) . . ?
I2 Ag1 Ag10 150.9(2) . 1_545 ?
I4 Ag1 Ag10 51.44(15) . 1_545 ?
I3 Ag1 Ag10 63.23(15) . 1_545 ?
I1 Ag1 Ag10 106.5(2) . 1_545 ?
I5 Ag2 I3 129.9(2) . . ?
I5 Ag2 I1 102.25(19) . . ?
I3 Ag2 I1 111.91(17) . . ?
I5 Ag2 I12 105.8(2) . 1_545 ?
I3 Ag2 I12 95.6(2) . 1_545 ?
I1 Ag2 I12 110.4(3) . 1_545 ?
I7 Ag3 I5 120.18(15) . . ?
I7 Ag3 I6 117.12(15) . . ?
I5 Ag3 I6 105.96(13) . . ?
I7 Ag3 I1 104.65(12) . . ?
I5 Ag3 I1 100.04(16) . . ?
I6 Ag3 I1 106.74(11) . . ?
I2 Ag4 I8 109.93(10) . . ?
I2 Ag4 I6 120.53(12) . . ?
I8 Ag4 I6 104.55(10) . . ?
I2 Ag4 I1 101.39(11) . . ?
I8 Ag4 I1 114.63(12) . . ?
I6 Ag4 I1 106.21(11) . . ?
I7 Ag5 I10 117.97(16) . . ?
I7 Ag5 I8 118.20(15) . . ?
I10 Ag5 I8 106.28(13) . . ?
I7 Ag5 I9 107.18(12) . . ?
I10 Ag5 I9 99.43(16) . . ?
I8 Ag5 I9 105.46(15) . . ?
I11 Ag6 I8 123.13(13) . . ?
I11 Ag6 I6 107.11(12) . . ?
I8 Ag6 I6 104.59(12) . . ?
I11 Ag6 I9 103.24(13) . . ?
I8 Ag6 I9 105.75(12) . . ?
I6 Ag6 I9 113.29(12) . . ?
I10 Ag7 I13 135.0(3) . . ?
I10 Ag7 I9 102.75(18) . . ?
I13 Ag7 I9 109.89(19) . . ?
I10 Ag7 I12 97.8(2) . . ?
I13 Ag7 I12 96.3(2) . . ?
I9 Ag7 I12 113.9(3) . . ?
I11 Ag8 I14 119.4(2) . . ?
I11 Ag8 I13 106.68(13) . . ?
I14 Ag8 I13 114.44(13) . . ?
I11 Ag8 I9 104.59(13) . . ?
I14 Ag8 I9 103.21(17) . . ?
I13 Ag8 I9 107.41(15) . . ?
I14 Ag9 I12 146.0(3) . . ?
I14 Ag9 I3 103.9(3) . 1_565 ?
I12 Ag9 I3 101.11(18) . 1_565 ?
I4 Ag10 I13 119.1(3) 1_565 . ?
I4 Ag10 I12 122.7(3) 1_565 . ?
I13 Ag10 I12 103.00(19) . . ?
I4 Ag10 I3 106.7(2) 1_565 1_565 ?
I13 Ag10 I3 110.0(2) . 1_565 ?
I12 Ag10 I3 91.7(3) . 1_565 ?
I4 Ag10 Ag1 55.83(12) 1_565 1_565 ?
I13 Ag10 Ag1 148.1(3) . 1_565 ?
I12 Ag10 Ag1 104.5(2) . 1_565 ?
I3 Ag10 Ag1 53.53(13) 1_565 1_565 ?
Ag2 I1 Ag1 67.01(14) . . ?
Ag2 I1 Ag4 95.61(15) . . ?
Ag1 I1 Ag4 71.25(10) . . ?
Ag2 I1 Ag3 69.36(17) . . ?
Ag1 I1 Ag3 114.26(12) . . ?
Ag4 I1 Ag3 66.84(9) . . ?
Ag1 I2 Ag4 75.65(11) . . ?
Ag2 I3 Ag1 67.72(13) . . ?
Ag2 I3 Ag9 76.07(19) . 1_545 ?
Ag1 I3 Ag9 113.12(19) . 1_545 ?
Ag2 I3 Ag10 75.0(2) . 1_545 ?
Ag1 I3 Ag10 63.24(12) . 1_545 ?
Ag9 I3 Ag10 53.92(17) 1_545 1_545 ?
Ag10 I4 Ag1 72.72(18) 1_545 . ?
Ag2 I5 Ag3 73.55(14) . . ?
Ag3 I6 Ag6 103.78(12) . . ?
Ag3 I6 Ag4 70.23(10) . . ?
Ag6 I6 Ag4 73.53(9) . . ?
Ag3 I7 Ag5 99.84(13) . . ?
Ag5 I8 Ag4 101.01(11) . . ?
Ag5 I8 Ag6 70.40(11) . . ?
Ag4 I8 Ag6 73.69(9) . . ?
Ag8 I9 Ag7 68.48(14) . . ?
Ag8 I9 Ag6 67.77(11) . . ?
Ag7 I9 Ag6 91.38(15) . . ?
Ag8 I9 Ag5 113.11(11) . . ?
Ag7 I9 Ag5 66.15(17) . . ?
Ag6 I9 Ag5 67.05(10) . . ?
Ag7 I10 Ag5 70.70(16) . . ?
Ag8 I11 Ag6 71.60(13) . . ?
Ag9 I12 Ag10 60.18(18) . . ?
Ag9 I12 Ag2 75.8(2) . 1_565 ?
Ag10 I12 Ag2 77.03(19) . 1_565 ?
Ag9 I12 Ag7 71.09(18) . . ?
Ag10 I12 Ag7 74.8(2) . . ?
Ag2 I12 Ag7 144.1(2) 1_565 . ?
Ag7 I13 Ag10 81.8(2) . . ?
Ag7 I13 Ag8 70.34(15) . . ?
Ag10 I13 Ag8 112.69(18) . . ?
Ag9 I14 Ag8 70.85(16) . . ?
O2 Mn1 O4 94.3(11) . . ?
O2 Mn1 O1 86.2(10) . . ?
O4 Mn1 O1 83.7(9) . . ?
O2 Mn1 O3 86.0(9) . . ?
O4 Mn1 O3 92.1(8) . . ?
O1 Mn1 O3 170.8(10) . . ?
O2 Mn1 N1 89.4(11) . . ?
O4 Mn1 N1 173.4(9) . . ?
O1 Mn1 N1 91.1(8) . . ?
O3 Mn1 N1 93.5(7) . . ?
O2 Mn1 N3 179.0(10) . . ?
O4 Mn1 N3 86.7(11) . . ?
O1 Mn1 N3 94.2(9) . . ?
O3 Mn1 N3 93.7(8) . . ?
N1 Mn1 N3 89.6(11) . . ?
O6 Mn2 O7 176.0(15) . . ?
O6 Mn2 N2 89.1(14) . . ?
O7 Mn2 N2 88.9(13) . . ?
O6 Mn2 O5 94.7(17) . . ?
O7 Mn2 O5 87.3(17) . . ?
N2 Mn2 O5 176.2(17) . . ?
O6 Mn2 O8 95.1(18) . . ?
O7 Mn2 O8 88.5(12) . . ?
N2 Mn2 O8 91.7(12) . . ?
O5 Mn2 O8 88.7(17) . . ?
O6 Mn2 N4 90.9(17) . 1_545 ?
O7 Mn2 N4 85.4(11) . 1_545 ?
N2 Mn2 N4 85.9(12) . 1_545 ?
O5 Mn2 N4 93.3(18) . 1_545 ?
O8 Mn2 N4 173.5(12) . 1_545 ?
N1 C1 C2 123(2) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 119(2) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118(2) . . ?
C4 C3 C6 117.7(17) . . ?
C2 C3 C6 123.1(18) . . ?
C5 C4 C3 118(2) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
N1 C5 C4 125(2) . . ?
N1 C5 H5 117.7 . . ?
C4 C5 H5 117.7 . . ?
C7 C6 C9 114.7(18) . . ?
C7 C6 C3 122.5(18) . . ?
C9 C6 C3 119.1(19) . . ?
C6 C7 C8 119(2) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
N2 C8 C7 125(3) . . ?
N2 C8 H8 117.7 . . ?
C7 C8 H8 117.7 . . ?
C6 C9 C10 123(2) . . ?
C6 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
N2 C10 C9 120(2) . . ?
N2 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N3 C11 C12 119(4) . . ?
N3 C11 H11 120.7 . . ?
C12 C11 H11 120.6 . . ?
C11 C12 C13 120(4) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 117(3) . . ?
C14 C13 C16 122(3) . . ?
C12 C13 C16 121(3) . . ?
C13 C14 C15 123(3) . . ?
C13 C14 H14 118.4 . . ?
C15 C14 H14 118.3 . . ?
N3 C15 C14 117(3) . . ?
N3 C15 H15 121.7 . . ?
C14 C15 H15 121.7 . . ?
C17 C16 C19 114(3) . . ?
C17 C16 C13 122(3) . . ?
C19 C16 C13 123(3) . . ?
C18 C17 C16 122(3) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
N4 C18 C17 112(2) . . ?
N4 C18 H18 124.1 . . ?
C17 C18 H18 124.0 . . ?
C20A C19 C20B 43(4) . . ?
C20A C19 C16 120(4) . . ?
C20B C19 C16 121(5) . . ?
N4 C20A C19 104(4) . . ?
N4 C20B C19 105(4) . . ?
C1 N1 C5 117(2) . . ?
C1 N1 Mn1 123.2(16) . . ?
C5 N1 Mn1 120.3(14) . . ?
C8 N2 C10 116(3) . . ?
C8 N2 Mn2 125.1(18) . . ?
C10 N2 Mn2 118.9(17) . . ?
C15 N3 C11 124(3) . . ?
C15 N3 Mn1 121(2) . . ?
C11 N3 Mn1 115(3) . . ?
C18 N4 C20B 122(5) . . ?
C18 N4 C20A 131(4) . . ?
C20B N4 C20A 45(4) . . ?
C18 N4 Mn2 108(2) . 1_565 ?
C20B N4 Mn2 112(3) . 1_565 ?
C20A N4 Mn2 120(3) . 1_565 ?
C21 O1 Mn1 125.8(19) . . ?
C24 O2 Mn1 129(3) . . ?
S1 O3 Mn1 126.8(12) . . ?
S2 O4 Mn1 120.1(14) . . ?
C31A O5 C31B 41.6(11) . . ?
C31A O5 Mn2 115(3) . . ?
C31B O5 Mn2 131(4) . . ?
C34 O6 Mn2 120(2) . . ?
C37 O7 Mn2 119(2) . . ?
O3 S1 C28 103.8(12) . . ?
O3 S1 C27 105.3(12) . . ?
C28 S1 C27 103.3(17) . . ?
O4 S2 C29 99(3) . . ?
O4 S2 C30 103(2) . . ?
C29 S2 C30 100(2) . . ?
C21 N5 C22 119(3) . . ?
C21 N5 C23 121(3) . . ?
C22 N5 C23 116(2) . . ?
C24 N6 C26 127(3) . . ?
C24 N6 C25 119(3) . . ?
C26 N6 C25 115(2) . . ?
C31A N7 C31B 39.0(10) . . ?
C31A N7 C32A 121(2) . . ?
C31B N7 C32A 85(4) . . ?
C31A N7 C33B 92(4) . . ?
C31B N7 C33B 119(2) . . ?
C32A N7 C33B 105(6) . . ?
C31A N7 C32B 156(3) . . ?
C31B N7 C32B 118(2) . . ?
C32A N7 C32B 47(5) . . ?
C33B N7 C32B 110.6(19) . . ?
C31A N7 C33A 119(2) . . ?
C31B N7 C33A 129(5) . . ?
C32A N7 C33A 110.8(19) . . ?
C33B N7 C33A 104(6) . . ?
C32B N7 C33A 65(5) . . ?
C34 N8 C35 120(5) . . ?
C34 N8 C36 120(5) . . ?
C35 N8 C36 113(5) . . ?
C37 N9 C39B 121(2) . . ?
C37 N9 C38B 120.5(19) . . ?
C39B N9 C38B 112.8(18) . . ?
C37 N9 C38A 120(2) . . ?
C39B N9 C38A 116(4) . . ?
C38B N9 C38A 42(5) . . ?
C37 N9 C39A 119(2) . . ?
C39B N9 C39A 50(5) . . ?
C38B N9 C39A 79(5) . . ?
C38A N9 C39A 111.3(18) . . ?
C40 N10 C41 116.5 . . ?
C40 N10 C42 113.2 . . ?
C41 N10 C42 113.1 . . ?
O1 C21 N5 120.3 . . ?
O1 C21 H21 120.1 . . ?
N5 C21 H21 120.2 . . ?
N5 C22 H22A 110.5 . . ?
N5 C22 H22B 109.9 . . ?
H22A C22 H22B 110.1 . . ?
N5 C22 H22C 109.8 . . ?
H22A C22 H22C 110.2 . . ?
H22B C22 H22C 109.2 . . ?
N5 C23 H23A 110.9 . . ?
N5 C23 H23B 109.3 . . ?
H23A C23 H23B 109.3 . . ?
N5 C23 H23C 109.8 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O2 C24 N6 130(4) . . ?
O2 C24 H24 115.3 . . ?
N6 C24 H24 115.2 . . ?
N6 C25 H25A 109.4 . . ?
N6 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N6 C25 H25C 109.6 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N6 C26 H26A 109.5 . . ?
N6 C26 H26B 109.4 . . ?
H26A C26 H26B 109.5 . . ?
N6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
S1 C27 H27A 109.5 . . ?
S1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
S1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
S1 C28 H28A 109.5 . . ?
S1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
S1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
S2 C29 H29A 109.6 . . ?
S2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
S2 C29 H29C 109.4 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
S2 C30 H30A 109.4 . . ?
S2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
S2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O5 C31A N7 112.5 . . ?
O5 C31B N7 109.2 . . ?
O6 C34 N8 110.5 . . ?
O6 C34 H34 124.1 . . ?
N8 C34 H34 125.2 . . ?
N8 C35 H35A 110.0 . . ?
N8 C35 H35B 109.9 . . ?
H35A C35 H35B 108.9 . . ?
N8 C35 H35C 110.3 . . ?
H35A C35 H35C 110.9 . . ?
H35B C35 H35C 108.8 . . ?
N8 C36 H36A 109.8 . . ?
N8 C36 H36B 110.0 . . ?
H36A C36 H36B 109.1 . . ?
N8 C36 H36C 109.8 . . ?
H36A C36 H36C 109.1 . . ?
H36B C36 H36C 109.1 . . ?
O7 C37 N9 111(2) . . ?
O7 C37 H37 124.7 . . ?
N9 C37 H37 124.6 . . ?
O9 C40 N10 101.5 . . ?
O9 C40 H40 129.4 . . ?
N10 C40 H40 129.1 . . ?
N10 C41 H41A 110.0 . . ?
N10 C41 H41B 109.7 . . ?
H41A C41 H41B 109.0 . . ?
N10 C41 H41C 109.2 . . ?
H41A C41 H41C 109.9 . . ?
H41B C41 H41C 109.2 . . ?
N10 C42 H42A 109.5 . . ?
N10 C42 H42B 109.6 . . ?
H42A C42 H42B 110.4 . . ?
N10 C42 H42C 109.3 . . ?
H42A C42 H42C 108.4 . . ?
H42B C42 H42C 108.5 . . ?
C43 N11 C45 123.3 . . ?
C43 N11 C44 119.5 . . ?
C45 N11 C44 112.3 . . ?
O10 C43 N11 106.5 . . ?

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
I5 Ag2 I1 Ag1 158.3(3) . . . . ?
I3 Ag2 I1 Ag1 15.7(2) . . . . ?
I12 Ag2 I1 Ag1 -89.5(2) 1_545 . . . ?
I5 Ag2 I1 Ag4 91.43(19) . . . . ?
I3 Ag2 I1 Ag4 -51.2(3) . . . . ?
I12 Ag2 I1 Ag4 -156.37(19) 1_545 . . . ?
I5 Ag2 I1 Ag3 28.78(18) . . . . ?
I3 Ag2 I1 Ag3 -113.9(3) . . . . ?
I12 Ag2 I1 Ag3 141.0(2) 1_545 . . . ?
I2 Ag1 I1 Ag2 -127.45(19) . . . . ?
I4 Ag1 I1 Ag2 105.5(2) . . . . ?
I3 Ag1 I1 Ag2 -15.08(19) . . . . ?
Ag10 Ag1 I1 Ag2 51.7(2) 1_545 . . . ?
I2 Ag1 I1 Ag4 -22.61(10) . . . . ?
I4 Ag1 I1 Ag4 -149.70(14) . . . . ?
I3 Ag1 I1 Ag4 89.75(14) . . . . ?
Ag10 Ag1 I1 Ag4 156.58(17) 1_545 . . . ?
I2 Ag1 I1 Ag3 -75.12(14) . . . . ?
I4 Ag1 I1 Ag3 157.79(14) . . . . ?
I3 Ag1 I1 Ag3 37.24(18) . . . . ?
Ag10 Ag1 I1 Ag3 104.07(18) 1_545 . . . ?
I2 Ag4 I1 Ag2 85.85(16) . . . . ?
I8 Ag4 I1 Ag2 -155.79(16) . . . . ?
I6 Ag4 I1 Ag2 -40.89(17) . . . . ?
I2 Ag4 I1 Ag1 22.45(10) . . . . ?
I8 Ag4 I1 Ag1 140.80(11) . . . . ?
I6 Ag4 I1 Ag1 -104.29(11) . . . . ?
I2 Ag4 I1 Ag3 150.56(11) . . . . ?
I8 Ag4 I1 Ag3 -91.09(11) . . . . ?
I6 Ag4 I1 Ag3 23.82(10) . . . . ?
I7 Ag3 I1 Ag2 -153.37(18) . . . . ?
I5 Ag3 I1 Ag2 -28.34(15) . . . . ?
I6 Ag3 I1 Ag2 81.83(15) . . . . ?
I7 Ag3 I1 Ag1 155.49(13) . . . . ?
I5 Ag3 I1 Ag1 -79.48(16) . . . . ?
I6 Ag3 I1 Ag1 30.70(16) . . . . ?
I7 Ag3 I1 Ag4 100.68(14) . . . . ?
I5 Ag3 I1 Ag4 -134.29(13) . . . . ?
I6 Ag3 I1 Ag4 -24.11(10) . . . . ?
I4 Ag1 I2 Ag4 140.52(16) . . . . ?
I3 Ag1 I2 Ag4 -91.36(14) . . . . ?
I1 Ag1 I2 Ag4 23.45(10) . . . . ?
Ag10 Ag1 I2 Ag4 -155.0(4) 1_545 . . . ?
I8 Ag4 I2 Ag1 -144.67(13) . . . . ?
I6 Ag4 I2 Ag1 93.71(14) . . . . ?
I1 Ag4 I2 Ag1 -22.99(10) . . . . ?
I5 Ag2 I3 Ag1 -145.0(3) . . . . ?
I1 Ag2 I3 Ag1 -15.6(2) . . . . ?
I12 Ag2 I3 Ag1 99.0(3) 1_545 . . . ?
I5 Ag2 I3 Ag9 92.4(3) . . . 1_545 ?
I1 Ag2 I3 Ag9 -138.2(3) . . . 1_545 ?
I12 Ag2 I3 Ag9 -23.6(3) 1_545 . . 1_545 ?
I5 Ag2 I3 Ag10 148.2(3) . . . 1_545 ?
I1 Ag2 I3 Ag10 -82.4(3) . . . 1_545 ?
I12 Ag2 I3 Ag10 32.2(2) 1_545 . . 1_545 ?
I2 Ag1 I3 Ag2 125.3(2) . . . . ?
I4 Ag1 I3 Ag2 -101.6(2) . . . . ?
I1 Ag1 I3 Ag2 15.2(2) . . . . ?
Ag10 Ag1 I3 Ag2 -83.9(2) 1_545 . . . ?
I2 Ag1 I3 Ag9 -171.94(17) . . . 1_545 ?
I4 Ag1 I3 Ag9 -38.8(3) . . . 1_545 ?
I1 Ag1 I3 Ag9 78.0(2) . . . 1_545 ?
Ag10 Ag1 I3 Ag9 -21.2(2) 1_545 . . 1_545 ?
I2 Ag1 I3 Ag10 -150.8(2) . . . 1_545 ?
I4 Ag1 I3 Ag10 -17.7(2) . . . 1_545 ?
I1 Ag1 I3 Ag10 99.2(2) . . . 1_545 ?
I2 Ag1 I4 Ag10 145.8(2) . . . 1_545 ?
I3 Ag1 I4 Ag10 20.3(2) . . . 1_545 ?
I1 Ag1 I4 Ag10 -98.8(2) . . . 1_545 ?
I3 Ag2 I5 Ag3 102.9(3) . . . . ?
I1 Ag2 I5 Ag3 -29.91(17) . . . . ?
I12 Ag2 I5 Ag3 -145.5(2) 1_545 . . . ?
I7 Ag3 I5 Ag2 142.5(2) . . . . ?
I6 Ag3 I5 Ag2 -81.91(17) . . . . ?
I1 Ag3 I5 Ag2 28.87(16) . . . . ?
I7 Ag3 I6 Ag6 -25.76(15) . . . . ?
I5 Ag3 I6 Ag6 -162.98(15) . . . . ?
I1 Ag3 I6 Ag6 91.03(12) . . . . ?
I7 Ag3 I6 Ag4 -92.29(13) . . . . ?
I5 Ag3 I6 Ag4 130.49(17) . . . . ?
I1 Ag3 I6 Ag4 24.50(10) . . . . ?
I11 Ag6 I6 Ag3 178.25(11) . . . . ?
I8 Ag6 I6 Ag3 -49.59(14) . . . . ?
I9 Ag6 I6 Ag3 65.09(15) . . . . ?
I11 Ag6 I6 Ag4 -117.57(13) . . . . ?
I8 Ag6 I6 Ag4 14.59(12) . . . . ?
I9 Ag6 I6 Ag4 129.27(15) . . . . ?
I2 Ag4 I6 Ag3 -138.69(15) . . . . ?
I8 Ag4 I6 Ag3 97.12(12) . . . . ?
I1 Ag4 I6 Ag3 -24.47(11) . . . . ?
I2 Ag4 I6 Ag6 109.59(15) . . . . ?
I8 Ag4 I6 Ag6 -14.60(12) . . . . ?
I1 Ag4 I6 Ag6 -136.19(13) . . . . ?
I5 Ag3 I7 Ag5 163.82(18) . . . . ?
I6 Ag3 I7 Ag5 32.88(16) . . . . ?
I1 Ag3 I7 Ag5 -85.05(16) . . . . ?
I10 Ag5 I7 Ag3 164.86(17) . . . . ?
I8 Ag5 I7 Ag3 34.70(19) . . . . ?
I9 Ag5 I7 Ag3 -84.14(15) . . . . ?
I7 Ag5 I8 Ag4 -25.72(18) . . . . ?
I10 Ag5 I8 Ag4 -161.04(17) . . . . ?
I9 Ag5 I8 Ag4 94.02(13) . . . . ?
I7 Ag5 I8 Ag6 -93.82(15) . . . . ?
I10 Ag5 I8 Ag6 130.86(19) . . . . ?
I9 Ag5 I8 Ag6 25.92(11) . . . . ?
I2 Ag4 I8 Ag5 178.27(13) . . . . ?
I6 Ag4 I8 Ag5 -51.01(15) . . . . ?
I1 Ag4 I8 Ag5 64.86(14) . . . . ?
I2 Ag4 I8 Ag6 -116.13(14) . . . . ?
I6 Ag4 I8 Ag6 14.60(12) . . . . ?
I1 Ag4 I8 Ag6 130.46(12) . . . . ?
I11 Ag6 I8 Ag5 -144.02(17) . . . . ?
I6 Ag6 I8 Ag5 93.76(14) . . . . ?
I9 Ag6 I8 Ag5 -26.10(13) . . . . ?
I11 Ag6 I8 Ag4 107.59(15) . . . . ?
I6 Ag6 I8 Ag4 -14.62(12) . . . . ?
I9 Ag6 I8 Ag4 -134.49(14) . . . . ?
I11 Ag8 I9 Ag7 -127.91(19) . . . . ?
I14 Ag8 I9 Ag7 106.5(2) . . . . ?
I13 Ag8 I9 Ag7 -14.81(18) . . . . ?
I11 Ag8 I9 Ag6 -27.00(11) . . . . ?
I14 Ag8 I9 Ag6 -152.64(16) . . . . ?
I13 Ag8 I9 Ag6 86.10(13) . . . . ?
I11 Ag8 I9 Ag5 -77.77(15) . . . . ?
I14 Ag8 I9 Ag5 156.60(15) . . . . ?
I13 Ag8 I9 Ag5 35.33(16) . . . . ?
I10 Ag7 I9 Ag8 164.1(3) . . . . ?
I13 Ag7 I9 Ag8 15.6(2) . . . . ?
I12 Ag7 I9 Ag8 -91.2(2) . . . . ?
I10 Ag7 I9 Ag6 98.7(2) . . . . ?
I13 Ag7 I9 Ag6 -49.8(3) . . . . ?
I12 Ag7 I9 Ag6 -156.6(2) . . . . ?
I10 Ag7 I9 Ag5 34.63(19) . . . . ?
I13 Ag7 I9 Ag5 -113.9(3) . . . . ?
I12 Ag7 I9 Ag5 139.3(2) . . . . ?
I11 Ag6 I9 Ag8 26.67(10) . . . . ?
I8 Ag6 I9 Ag8 -103.86(13) . . . . ?
I6 Ag6 I9 Ag8 142.16(15) . . . . ?
I11 Ag6 I9 Ag7 92.69(17) . . . . ?
I8 Ag6 I9 Ag7 -37.83(18) . . . . ?
I6 Ag6 I9 Ag7 -151.82(18) . . . . ?
I11 Ag6 I9 Ag5 155.98(13) . . . . ?
I8 Ag6 I9 Ag5 25.46(12) . . . . ?
I6 Ag6 I9 Ag5 -88.52(15) . . . . ?
I7 Ag5 I9 Ag8 152.45(13) . . . . ?
I10 Ag5 I9 Ag8 -84.25(15) . . . . ?
I8 Ag5 I9 Ag8 25.67(16) . . . . ?
I7 Ag5 I9 Ag7 -156.21(17) . . . . ?
I10 Ag5 I9 Ag7 -32.92(15) . . . . ?
I8 Ag5 I9 Ag7 77.01(16) . . . . ?
I7 Ag5 I9 Ag6 101.32(13) . . . . ?
I10 Ag5 I9 Ag6 -135.39(14) . . . . ?
I8 Ag5 I9 Ag6 -25.46(11) . . . . ?
I13 Ag7 I10 Ag5 100.7(3) . . . . ?
I9 Ag7 I10 Ag5 -35.37(17) . . . . ?
I12 Ag7 I10 Ag5 -152.2(2) . . . . ?
I7 Ag5 I10 Ag7 149.6(2) . . . . ?
I8 Ag5 I10 Ag7 -75.0(2) . . . . ?
I9 Ag5 I10 Ag7 34.30(17) . . . . ?
I14 Ag8 I11 Ag6 142.50(19) . . . . ?
I13 Ag8 I11 Ag6 -85.83(15) . . . . ?
I9 Ag8 I11 Ag6 27.79(11) . . . . ?
I8 Ag6 I11 Ag8 91.87(15) . . . . ?
I6 Ag6 I11 Ag8 -147.08(12) . . . . ?
I9 Ag6 I11 Ag8 -27.25(10) . . . . ?
I14 Ag9 I12 Ag10 -165.2(5) . . . . ?
I3 Ag9 I12 Ag10 57.9(2) 1_565 . . . ?
I14 Ag9 I12 Ag2 111.8(5) . . . 1_565 ?
I3 Ag9 I12 Ag2 -25.1(2) 1_565 . . 1_565 ?
I14 Ag9 I12 Ag7 -82.3(5) . . . . ?
I3 Ag9 I12 Ag7 140.8(2) 1_565 . . . ?
I4 Ag10 I12 Ag9 -160.7(4) 1_565 . . . ?
I13 Ag10 I12 Ag9 61.5(2) . . . . ?
I3 Ag10 I12 Ag9 -49.57(18) 1_565 . . . ?
Ag1 Ag10 I12 Ag9 -102.2(3) 1_565 . . . ?
I4 Ag10 I12 Ag2 -79.8(4) 1_565 . . 1_565 ?
I13 Ag10 I12 Ag2 142.4(2) . . . 1_565 ?
I3 Ag10 I12 Ag2 31.35(18) 1_565 . . 1_565 ?
Ag1 Ag10 I12 Ag2 -21.3(2) 1_565 . . 1_565 ?
I4 Ag10 I12 Ag7 122.7(3) 1_565 . . . ?
I13 Ag10 I12 Ag7 -15.2(3) . . . . ?
I3 Ag10 I12 Ag7 -126.2(2) 1_565 . . . ?
Ag1 Ag10 I12 Ag7 -178.9(2) 1_565 . . . ?
I10 Ag7 I12 Ag9 174.6(2) . . . . ?
I13 Ag7 I12 Ag9 -48.3(2) . . . . ?
I9 Ag7 I12 Ag9 66.8(2) . . . . ?
I10 Ag7 I12 Ag10 -122.3(2) . . . . ?
I13 Ag7 I12 Ag10 14.9(3) . . . . ?
I9 Ag7 I12 Ag10 130.0(3) . . . . ?
I10 Ag7 I12 Ag2 -161.7(6) . . . 1_565 ?
I13 Ag7 I12 Ag2 -24.5(7) . . . 1_565 ?
I9 Ag7 I12 Ag2 90.6(6) . . . 1_565 ?
I10 Ag7 I13 Ag10 92.9(3) . . . . ?
I9 Ag7 I13 Ag10 -133.2(3) . . . . ?
I12 Ag7 I13 Ag10 -14.9(3) . . . . ?
I10 Ag7 I13 Ag8 -149.4(4) . . . . ?
I9 Ag7 I13 Ag8 -15.47(19) . . . . ?
I12 Ag7 I13 Ag8 102.9(3) . . . . ?
I4 Ag10 I13 Ag7 -123.0(3) 1_565 . . . ?
I12 Ag10 I13 Ag7 16.7(3) . . . . ?
I3 Ag10 I13 Ag7 113.4(3) 1_565 . . . ?
Ag1 Ag10 I13 Ag7 165.7(5) 1_565 . . . ?
I4 Ag10 I13 Ag8 172.4(3) 1_565 . . . ?
I12 Ag10 I13 Ag8 -47.9(3) . . . . ?
I3 Ag10 I13 Ag8 48.8(3) 1_565 . . . ?
Ag1 Ag10 I13 Ag8 101.1(5) 1_565 . . . ?
I11 Ag8 I13 Ag7 127.0(2) . . . . ?
I14 Ag8 I13 Ag7 -98.7(3) . . . . ?
I9 Ag8 I13 Ag7 15.27(19) . . . . ?
I11 Ag8 I13 Ag10 -161.3(2) . . . . ?
I14 Ag8 I13 Ag10 -26.9(3) . . . . ?
I9 Ag8 I13 Ag10 87.0(2) . . . . ?
I12 Ag9 I14 Ag8 93.8(5) . . . . ?
I3 Ag9 I14 Ag8 -129.9(2) 1_565 . . . ?
I11 Ag8 I14 Ag9 157.7(2) . . . . ?
I13 Ag8 I14 Ag9 29.5(3) . . . . ?
I9 Ag8 I14 Ag9 -86.9(2) . . . . ?
N1 C1 C2 C3 9(6) . . . . ?
C1 C2 C3 C4 -7(5) . . . . ?
C1 C2 C3 C6 -177(3) . . . . ?
C2 C3 C4 C5 2(6) . . . . ?
C6 C3 C4 C5 173(3) . . . . ?
C3 C4 C5 N1 1(6) . . . . ?
C4 C3 C6 C7 -164(4) . . . . ?
C2 C3 C6 C7 7(5) . . . . ?
C4 C3 C6 C9 39(4) . . . . ?
C2 C3 C6 C9 -151(3) . . . . ?
C9 C6 C7 C8 -18(5) . . . . ?
C3 C6 C7 C8 -176(4) . . . . ?
C6 C7 C8 N2 14(7) . . . . ?
C7 C6 C9 C10 14(6) . . . . ?
C3 C6 C9 C10 173(3) . . . . ?
C6 C9 C10 N2 -5(6) . . . . ?
N3 C11 C12 C13 -5(6) . . . . ?
C11 C12 C13 C14 9(6) . . . . ?
C11 C12 C13 C16 -180(4) . . . . ?
C12 C13 C14 C15 -9(6) . . . . ?
C16 C13 C14 C15 180(4) . . . . ?
C13 C14 C15 N3 4(6) . . . . ?
C14 C13 C16 C17 -161(4) . . . . ?
C12 C13 C16 C17 28(6) . . . . ?
C14 C13 C16 C19 27(7) . . . . ?
C12 C13 C16 C19 -144(4) . . . . ?
C19 C16 C17 C18 -4(6) . . . . ?
C13 C16 C17 C18 -177(4) . . . . ?
C16 C17 C18 N4 -7(6) . . . . ?
C17 C16 C19 C20A 34(7) . . . . ?
C13 C16 C19 C20A -153(5) . . . . ?
C17 C16 C19 C20B -16(7) . . . . ?
C13 C16 C19 C20B 156(5) . . . . ?
C20B C19 C20A N4 58(4) . . . . ?
C16 C19 C20A N4 -47(8) . . . . ?
C20A C19 C20B N4 -59(4) . . . . ?
C16 C19 C20B N4 43(8) . . . . ?
C2 C1 N1 C5 -6(6) . . . . ?
C2 C1 N1 Mn1 177(3) . . . . ?
C4 C5 N1 C1 1(6) . . . . ?
C4 C5 N1 Mn1 178(3) . . . . ?
O2 Mn1 N1 C1 96(3) . . . . ?
O4 Mn1 N1 C1 -29(11) . . . . ?
O1 Mn1 N1 C1 10(3) . . . . ?
O3 Mn1 N1 C1 -178(3) . . . . ?
N3 Mn1 N1 C1 -85(3) . . . . ?
O2 Mn1 N1 C5 -81(3) . . . . ?
O4 Mn1 N1 C5 154(8) . . . . ?
O1 Mn1 N1 C5 -167(3) . . . . ?
O3 Mn1 N1 C5 5(3) . . . . ?
N3 Mn1 N1 C5 98(3) . . . . ?
C7 C8 N2 C10 -4(7) . . . . ?
C7 C8 N2 Mn2 179(4) . . . . ?
C9 C10 N2 C8 -1(6) . . . . ?
C9 C10 N2 Mn2 176(3) . . . . ?
O6 Mn2 N2 C8 -46(4) . . . . ?
O7 Mn2 N2 C8 138(4) . . . . ?
O5 Mn2 N2 C8 146(26) . . . . ?
O8 Mn2 N2 C8 49(4) . . . . ?
N4 Mn2 N2 C8 -137(4) 1_545 . . . ?
O6 Mn2 N2 C10 137(4) . . . . ?
O7 Mn2 N2 C10 -39(3) . . . . ?
O5 Mn2 N2 C10 -31(29) . . . . ?
O8 Mn2 N2 C10 -128(3) . . . . ?
N4 Mn2 N2 C10 46(3) 1_545 . . . ?
C14 C15 N3 C11 1(6) . . . . ?
C14 C15 N3 Mn1 180(3) . . . . ?
C12 C11 N3 C15 0(6) . . . . ?
C12 C11 N3 Mn1 -179(3) . . . . ?
O2 Mn1 N3 C15 -61(52) . . . . ?
O4 Mn1 N3 C15 102(3) . . . . ?
O1 Mn1 N3 C15 -175(3) . . . . ?
O3 Mn1 N3 C15 10(3) . . . . ?
N1 Mn1 N3 C15 -83(3) . . . . ?
O2 Mn1 N3 C11 118(51) . . . . ?
O4 Mn1 N3 C11 -79(3) . . . . ?
O1 Mn1 N3 C11 5(3) . . . . ?
O3 Mn1 N3 C11 -171(3) . . . . ?
N1 Mn1 N3 C11 96(3) . . . . ?
C17 C18 N4 C20B 42(6) . . . . ?
C17 C18 N4 C20A -13(7) . . . . ?
C17 C18 N4 Mn2 174(3) . . . 1_565 ?
C19 C20B N4 C18 -59(8) . . . . ?
C19 C20B N4 C20A 58(4) . . . . ?
C19 C20B N4 Mn2 170(4) . . . 1_565 ?
C19 C20A N4 C18 39(8) . . . . ?
C19 C20A N4 C20B -59(4) . . . . ?
C19 C20A N4 Mn2 -150(4) . . . 1_565 ?
O2 Mn1 O1 C21 9(3) . . . . ?
O4 Mn1 O1 C21 -86(3) . . . . ?
O3 Mn1 O1 C21 -23(8) . . . . ?
N1 Mn1 O1 C21 98(3) . . . . ?
N3 Mn1 O1 C21 -172(3) . . . . ?
O4 Mn1 O2 C24 -103(3) . . . . ?
O1 Mn1 O2 C24 173(3) . . . . ?
O3 Mn1 O2 C24 -12(3) . . . . ?
N1 Mn1 O2 C24 82(3) . . . . ?
N3 Mn1 O2 C24 59(53) . . . . ?
O2 Mn1 O3 S1 -84.4(19) . . . . ?
O4 Mn1 O3 S1 9.7(19) . . . . ?
O1 Mn1 O3 S1 -53(6) . . . . ?
N1 Mn1 O3 S1 -173.6(19) . . . . ?
N3 Mn1 O3 S1 96.5(19) . . . . ?
O2 Mn1 O4 S2 -30.9(17) . . . . ?
O1 Mn1 O4 S2 54.8(17) . . . . ?
O3 Mn1 O4 S2 -117.0(17) . . . . ?
N1 Mn1 O4 S2 94(10) . . . . ?
N3 Mn1 O4 S2 149.4(17) . . . . ?
O6 Mn2 O5 C31A 111(7) . . . . ?
O7 Mn2 O5 C31A -73(7) . . . . ?
N2 Mn2 O5 C31A -81(31) . . . . ?
O8 Mn2 O5 C31A 16(7) . . . . ?
N4 Mn2 O5 C31A -158(7) 1_545 . . . ?
O6 Mn2 O5 C31B 158(8) . . . . ?
O7 Mn2 O5 C31B -26(8) . . . . ?
N2 Mn2 O5 C31B -34(32) . . . . ?
O8 Mn2 O5 C31B 63(8) . . . . ?
N4 Mn2 O5 C31B -111(8) 1_545 . . . ?
O7 Mn2 O6 C34 -175(23) . . . . ?
N2 Mn2 O6 C34 124(5) . . . . ?
O5 Mn2 O6 C34 -57(5) . . . . ?
O8 Mn2 O6 C34 32(5) . . . . ?
N4 Mn2 O6 C34 -150(5) 1_545 . . . ?
O6 Mn2 O7 C37 -167(25) . . . . ?
N2 Mn2 O7 C37 -106(4) . . . . ?
O5 Mn2 O7 C37 74(4) . . . . ?
O8 Mn2 O7 C37 -15(4) . . . . ?
N4 Mn2 O7 C37 168(4) 1_545 . . . ?
Mn1 O3 S1 C28 135.8(19) . . . . ?
Mn1 O3 S1 C27 -116.0(18) . . . . ?
Mn1 O4 S2 C29 120(2) . . . . ?
Mn1 O4 S2 C30 -137.5(18) . . . . ?
Mn1 O1 C21 N5 168(2) . . . . ?
C22 N5 C21 O1 -33(6) . . . . ?
C23 N5 C21 O1 169(5) . . . . ?
Mn1 O2 C24 N6 176(3) . . . . ?
C26 N6 C24 O2 162(4) . . . . ?
C25 N6 C24 O2 -20(6) . . . . ?
C31B O5 C31A N7 60(2) . . . . ?
Mn2 O5 C31A N7 -176(5) . . . . ?
C31B N7 C31A O5 -59(2) . . . . ?
C32A N7 C31A O5 -33(11) . . . . ?
C33B N7 C31A O5 76(8) . . . . ?
C32B N7 C31A O5 -84(18) . . . . ?
C33A N7 C31A O5 -176(8) . . . . ?
C31A O5 C31B N7 -57(2) . . . . ?
Mn2 O5 C31B N7 -139(5) . . . . ?
C31A N7 C31B O5 56(2) . . . . ?
C32A N7 C31B O5 -101(8) . . . . ?
C33B N7 C31B O5 3(10) . . . . ?
C32B N7 C31B O5 -135(9) . . . . ?
C33A N7 C31B O5 146(7) . . . . ?
Mn2 O6 C34 N8 141(3) . . . . ?
C35 N8 C34 O6 102(5) . . . . ?
C36 N8 C34 O6 -108(7) . . . . ?
Mn2 O7 C37 N9 -178(3) . . . . ?
C39B N9 C37 O7 -161(6) . . . . ?
C38B N9 C37 O7 -8(7) . . . . ?
C38A N9 C37 O7 40(6) . . . . ?
C39A N9 C37 O7 -103(6) . . . . ?
C41 N10 C40 O9 -131(6) . . . . ?
C42 N10 C40 O9 2(7) . . . . ?
C45 N11 C43 O10 -20(11) . . . . ?
C44 N11 C43 O10 132(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         3.349
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.163
_database_code_depnum_ccdc_archive 'CCDC 995789'
