#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:29:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180508 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/77/7217748.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7217748
loop_
_publ_author_name
'Shen, Yali'
'Lu, Jialin'
'Tang, Chunying'
'Wang, Fang'
'Zhang, Yong'
'Jia, Dingxian'
_publ_section_title
;
 Polymeric templates and solvent effects: syntheses and properties of
 polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+
 cations
;
_journal_name_full               'RSC Advances'
_journal_paper_doi               10.1039/C4RA08121H
_journal_year                    2014
_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
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.670(14)
_cell_angle_beta                 86.076(14)
_cell_angle_gamma                73.569(11)
_cell_formula_units_Z            2
_cell_length_a                   13.0276(18)
_cell_length_b                   16.091(2)
_cell_length_c                   22.994(5)
_cell_measurement_reflns_used    20568
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.0230
_cell_volume                     4608.7(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36645
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    7.118
_exptl_absorpt_correction_T_max  0.6747
_exptl_absorpt_correction_T_min  0.1630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.856
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.349
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       0.0047(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     699
_refine_ls_number_reflns         16758
_refine_ls_number_restraints     104
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1418
_reflns_number_gt                8822
_reflns_number_total             16758
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra08121h2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        4608.8(13)
_cod_database_code               7217748
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
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
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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_4
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) . .
