#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:25:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180138 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/35/7103587.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_7103587
loop_
_publ_author_name
'Bourlier, Julien'
'Jouaiti, Abdelaziz'
'Kyritsakas-Gruber, Nathalie'
'Allouche, Lionel'
'Planeix, Jean-Marc'
'Hosseini, Mir Wais'
_publ_section_title
;
 Direct synthesis and structural characterisation of tri- and
 tetra-nuclear silver metallaknotanes by self-assembly approach.
;
_journal_issue                   46
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6191
_journal_page_last               6193
_journal_paper_doi               10.1039/b815580a
_journal_year                    2008
_chemical_formula_moiety
'2(C84 H96 Ag3 N6 O18), 6(As F6), 2( C H Cl3), C H Cl3'
_chemical_formula_sum            'C171 H195 Ag6 As6 Cl9 F36 N12 O36'
_chemical_formula_weight         5094.18
_chemical_name_systematic
;

?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.442(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   29.3000(8)
_cell_length_b                   20.1815(5)
_cell_length_c                   18.7343(5)
_cell_measurement_reflns_used    6298
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      19.88
_cell_measurement_theta_min      2.20
_cell_volume                     10957.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            57564
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    1.630
_exptl_absorpt_correction_T_max  0.8539
_exptl_absorpt_correction_T_min  0.8039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5100
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.873
_refine_diff_density_min         -1.991
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.453
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         12616
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.453
_refine_ls_R_factor_all          0.2084
_refine_ls_R_factor_gt           0.1339
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.012
_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          0.3822
_refine_ls_wR_factor_ref         0.4315
_reflns_number_gt                6312
_reflns_number_total             12616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815580a.txt
_cod_data_source_block           for
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7103587
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.0000 0.02174(5) 0.7500 0.0582(4) Uani 1 2 d S . .
Ag2 Ag -0.06498(4) 0.35305(4) 0.91005(5) 0.0669(4) Uani 1 1 d . . .
N1 N 0.0686(3) 0.0432(4) 0.7213(4) 0.051(2) Uani 1 1 d . . .
C1 C 0.1072(5) 0.0172(6) 0.7554(7) 0.065(3) Uani 1 1 d . . .
H1 H 0.1053 -0.0125 0.7942 0.078 Uiso 1 1 calc R . .
C2 C 0.1500(5) 0.0314(7) 0.7371(8) 0.076(4) Uani 1 1 d . . .
H2 H 0.1766 0.0120 0.7645 0.092 Uiso 1 1 calc R . .
C3 C 0.1554(4) 0.0706(6) 0.6832(7) 0.066(3) Uani 1 1 d . . .
H3 H 0.1850 0.0772 0.6695 0.080 Uiso 1 1 calc R . .
C4 C 0.1147(4) 0.1040(5) 0.6446(6) 0.053(3) Uani 1 1 d . . .
C5 C 0.1168(4) 0.1477(5) 0.5876(5) 0.052(3) Uani 1 1 d . . .
H5 H 0.1451 0.1561 0.5702 0.062 Uiso 1 1 calc R . .
C6 C 0.0765(4) 0.1783(5) 0.5574(6) 0.052(3) Uani 1 1 d . . .
C7 C 0.0355(4) 0.1624(5) 0.5786(6) 0.053(3) Uani 1 1 d . . .
H7 H 0.0083 0.1834 0.5553 0.064 Uiso 1 1 calc R . .
C8 C 0.0318(4) 0.1186(4) 0.6307(5) 0.049(3) Uani 1 1 d . . .
H8 H 0.0023 0.1081 0.6431 0.059 Uiso 1 1 calc R . .
C9 C 0.0713(3) 0.0883(5) 0.6671(5) 0.047(2) Uani 1 1 d . . .
O1 O 0.0749(3) 0.2251(4) 0.5020(4) 0.0594(19) Uani 1 1 d . . .
C10 C 0.1149(5) 0.2427(6) 0.4755(7) 0.072(3) Uani 1 1 d . . .
H10A H 0.1260 0.2046 0.4495 0.086 Uiso 1 1 calc R . .
H10B H 0.1392 0.2542 0.5162 0.086 Uiso 1 1 calc R . .
C11 C 0.1064(6) 0.3003(8) 0.4257(7) 0.085(4) Uani 1 1 d . . .
H11A H 0.1334 0.3084 0.4008 0.103 Uiso 1 1 calc R . .
H11B H 0.0791 0.2921 0.3889 0.103 Uiso 1 1 calc R . .
O2 O 0.0986(4) 0.3552(5) 0.4691(6) 0.099(3) Uani 1 1 d . . .
C12 C 0.1088(6) 0.4182(8) 0.4468(9) 0.104(6) Uani 1 1 d . . .
H12A H 0.0959 0.4239 0.3953 0.125 Uiso 1 1 calc R . .
H12B H 0.1427 0.4236 0.4515 0.125 Uiso 1 1 calc R . .
C13 C 0.0901(11) 0.468(2) 0.489(2) 0.247 Uani 1 1 d . . .
H13A H 0.0997 0.5118 0.4720 0.297 Uiso 1 1 calc R . .
H13B H 0.0561 0.4660 0.4774 0.297 Uiso 1 1 calc R . .
O3 O 0.1008(7) 0.4663(18) 0.5574(16) 0.247 Uani 1 1 d . . .
C14 C 0.0776(11) 0.511(2) 0.5883(18) 0.247 Uani 1 1 d D . .
H14A H 0.0481 0.4922 0.5990 0.297 Uiso 1 1 calc R . .
H14B H 0.0708 0.5500 0.5565 0.297 Uiso 1 1 calc R . .
C15 C 0.1078(8) 0.530(2) 0.6557(17) 0.247 Uani 1 1 d D . .
H15A H 0.1078 0.4923 0.6901 0.297 Uiso 1 1 calc R . .
H15B H 0.0936 0.5680 0.6768 0.297 Uiso 1 1 calc R . .
O4 O 0.1574(6) 0.5469(15) 0.6511(13) 0.247 Uani 1 1 d D . .
C16 C 0.1836(9) 0.5964(17) 0.7003(19) 0.247 Uani 1 1 d D . .
H16A H 0.1868 0.6392 0.6759 0.297 Uiso 1 1 calc R . .
H16B H 0.1693 0.6037 0.7444 0.297 Uiso 1 1 calc R . .
C17 C 0.2279(9) 0.561(2) 0.7160(18) 0.247 Uani 1 1 d D . .
H17A H 0.2545 0.5920 0.7212 0.297 Uiso 1 1 calc R . .
H17B H 0.2315 0.5273 0.6791 0.297 Uiso 1 1 calc R . .
O5 O 0.2206(7) 0.5295(18) 0.7898(15) 0.247 Uani 1 1 d D . .
C18 C 0.2160(9) 0.4641(10) 0.7727(14) 0.143(9) Uani 1 1 d . . .
H18A H 0.2470 0.4447 0.7727 0.172 Uiso 1 1 calc R . .
H18B H 0.1989 0.4599 0.7232 0.172 Uiso 1 1 calc R . .
C19 C 0.1905(6) 0.4240(9) 0.8246(11) 0.112(6) Uani 1 1 d . . .
H19A H 0.1974 0.3762 0.8210 0.135 Uiso 1 1 calc R . .
H19B H 0.2004 0.4385 0.8750 0.135 Uiso 1 1 calc R . .
O6 O 0.1427(4) 0.4356(5) 0.8043(5) 0.086(3) Uani 1 1 d . . .
C20 C 0.1123(4) 0.4103(6) 0.8419(8) 0.068(3) Uani 1 1 d . . .
C21 C 0.1233(5) 0.3686(6) 0.9027(8) 0.071(3) Uani 1 1 d . . .
H21 H 0.1546 0.3566 0.9180 0.085 Uiso 1 1 calc R . .
C22 C 0.0895(6) 0.3453(6) 0.9401(8) 0.081(4) Uani 1 1 d . . .
C23 C 0.0963(7) 0.3049(7) 0.9969(8) 0.090(4) Uani 1 1 d . . .
H23 H 0.1260 0.2858 1.0099 0.108 Uiso 1 1 calc R . .
C24 C 0.0628(7) 0.2898(8) 1.0369(12) 0.111(6) Uani 1 1 d . . .
H24 H 0.0700 0.2653 1.0804 0.133 Uiso 1 1 calc R . .
C25 C 0.0192(6) 0.3096(7) 1.0146(8) 0.089(4) Uani 1 1 d . . .
H25 H -0.0044 0.2967 1.0414 0.107 Uiso 1 1 calc R . .
N2 N 0.0078(4) 0.3483(5) 0.9537(6) 0.078(3) Uani 1 1 d . . .
C26 C 0.0414(5) 0.3665(6) 0.9166(6) 0.060(3) Uani 1 1 d . . .
C27 C 0.0321(5) 0.4065(7) 0.8578(7) 0.071(3) Uani 1 1 d . . .
H27 H 0.0012 0.4199 0.8418 0.086 Uiso 1 1 calc R . .
C28 C 0.0662(5) 0.4276(6) 0.8218(8) 0.078(4) Uani 1 1 d . . .
H28 H 0.0583 0.4554 0.7810 0.094 Uiso 1 1 calc R . .
N3 N -0.1218(3) 0.3164(4) 0.8311(5) 0.054(2) Uani 1 1 d . . .
C29 C -0.1646(5) 0.3224(6) 0.8449(8) 0.074(4) Uani 1 1 d . . .
H29 H -0.1708 0.3502 0.8833 0.089 Uiso 1 1 calc R . .
C30 C -0.2012(5) 0.2885(7) 0.8036(8) 0.075(4) Uani 1 1 d . . .
H30 H -0.2314 0.2931 0.8159 0.090 Uiso 1 1 calc R . .
C31 C -0.1954(4) 0.2509(6) 0.7490(7) 0.065(3) Uani 1 1 d . . .
H31 H -0.2209 0.2300 0.7205 0.078 Uiso 1 1 calc R . .
C32 C -0.1505(4) 0.2422(5) 0.7336(6) 0.055(3) Uani 1 1 d . . .
C33 C -0.1390(3) 0.1996(5) 0.6748(5) 0.047(2) Uani 1 1 d . . .
H33 H -0.1627 0.1774 0.6438 0.057 Uiso 1 1 calc R . .
C34 C -0.0951(3) 0.1925(4) 0.6658(5) 0.042(2) Uani 1 1 d . . .
C35 C -0.0596(4) 0.2276(5) 0.7069(5) 0.047(2) Uani 1 1 d . . .
H35 H -0.0289 0.2232 0.6967 0.056 Uiso 1 1 calc R . .
C36 C -0.0682(4) 0.2685(5) 0.7622(6) 0.049(2) Uani 1 1 d . . .
H36 H -0.0437 0.2918 0.7903 0.059 Uiso 1 1 calc R . .
C37 C -0.1144(4) 0.2757(5) 0.7767(5) 0.046(2) Uani 1 1 d . . .
O7 O -0.0801(2) 0.1522(3) 0.6137(4) 0.0529(17) Uani 1 1 d . . .
C38 C -0.1126(4) 0.1104(5) 0.5718(7) 0.062(3) Uani 1 1 d . . .
H38A H -0.1329 0.1367 0.5354 0.074 Uiso 1 1 calc R . .
H38B H -0.1320 0.0873 0.6029 0.074 Uiso 1 1 calc R . .
C39 C -0.0851(5) 0.0614(6) 0.5354(6) 0.065(3) Uani 1 1 d . . .
H39A H -0.1050 0.0396 0.4949 0.078 Uiso 1 1 calc R . .
H39B H -0.0595 0.0840 0.5162 0.078 Uiso 1 1 calc R . .
O8 O -0.0673(3) 0.0137(4) 0.5882(4) 0.064(2) Uani 1 1 d . . .
C40 C -0.0403(6) -0.0349(7) 0.5620(7) 0.088(5) Uani 1 1 d . . .
H40A H -0.0088 -0.0172 0.5620 0.106 Uiso 1 1 calc R . .
H40B H -0.0533 -0.0452 0.5115 0.106 Uiso 1 1 calc R . .
C41 C -0.0374(7) -0.0966(7) 0.6048(8) 0.096(5) Uani 1 1 d . . .
H41A H -0.0690 -0.1135 0.6060 0.116 Uiso 1 1 calc R . .
H41B H -0.0206 -0.1304 0.5806 0.116 Uiso 1 1 calc R . .
O9 O -0.0151(4) -0.0882(4) 0.6762(5) 0.086(3) Uani 1 1 d . . .
C42 C -0.0166(11) -0.1458(7) 0.7128(10) 0.157(11) Uani 1 1 d . . .
H42A H -0.0079 -0.1827 0.6826 0.188 Uiso 1 1 calc R . .
H42B H -0.0486 -0.1537 0.7217 0.188 Uiso 1 1 calc R . .
As1 As 0.24268(14) 0.2455(2) 0.01695(19) 0.0769(10) Uani 0.50 1 d P . .
F1 F 0.2677(9) 0.2003(14) 0.0699(19) 0.364(18) Uani 1 1 d . . .
F2 F 0.1984(6) 0.2152(11) -0.0053(9) 0.220(8) Uani 1 1 d . . .
F3 F 0.2412(6) 0.3014(10) 0.0496(12) 0.213 Uani 1 1 d . . .
As2 As 0.2500 0.7500 0.0000 0.1161(11) Uani 1 2 d S . .
F4 F 0.2857(4) 0.8134(6) -0.0150(6) 0.136(4) Uani 1 1 d . . .
F5 F 0.2865(3) 0.7308(6) 0.0784(6) 0.132(4) Uani 1 1 d . . .
F6 F 0.2199(3) 0.8001(6) 0.0485(6) 0.126(4) Uani 1 1 d . . .
As3 As 0.0000 0.36727(14) 0.2500 0.1085(9) Uani 1 2 d S . .
F7 F 0.0505(6) 0.3630(7) 0.2615(8) 0.190(8) Uani 1 1 d . . .
F8 F -0.0026(6) 0.4207(8) 0.3150(10) 0.216(8) Uani 1 1 d . . .
F9 F 0.0028(6) 0.3113(9) 0.3147(7) 0.192(7) Uani 1 1 d . . .
C43 C 0.1361(8) 0.1880(14) 0.1975(11) 0.089(3) Uani 0.25 1 d PD . .
H43 H 0.1184 0.2293 0.2047 0.107 Uiso 0.25 1 calc PR . .
Cl1 Cl 0.1801(5) 0.2018(7) 0.1458(7) 0.089(3) Uani 0.25 1 d PD . .
Cl2 Cl 0.1023(6) 0.1283(7) 0.1454(7) 0.089(3) Uani 0.25 1 d PD . .
Cl3 Cl 0.1670(6) 0.1592(7) 0.2765(7) 0.089(3) Uani 0.25 1 d PD . .
C44 C 0.2259(6) 0.9661(13) 0.9830(13) 0.1163(17) Uani 0.50 1 d PD . .
H44 H 0.2360 0.9283 1.0161 0.140 Uiso 0.50 1 calc PR . .
Cl4 Cl 0.2713(3) 0.9854(5) 0.9375(6) 0.1163(17) Uani 0.50 1 d PD . .
Cl5 Cl 0.1742(3) 0.9428(5) 0.9303(6) 0.1163(17) Uani 0.50 1 d PD . .
Cl6 Cl 0.2101(3) 1.0302(5) 1.0356(6) 0.1163(17) Uani 0.50 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N1 Ag1 N1 157.3(4) . 2_556 ?
N2 Ag2 N3 148.0(3) . . ?
N2 Ag2 O2 98.6(4) . 2_556 ?
N3 Ag2 O2 104.2(4) . 2_556 ?
C1 N1 C9 118.7(9) . . ?
C1 N1 Ag1 123.5(7) . . ?
C9 N1 Ag1 117.7(7) . . ?
N1 C1 C2 123.0(11) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 122.2(13) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 118.6(12) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C9 120.5(10) . . ?
C5 C4 C3 123.0(10) . . ?
C9 C4 C3 116.5(10) . . ?
C6 C5 C4 117.8(10) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C7 C6 C5 121.1(10) . . ?
C7 C6 O1 116.1(10) . . ?
C5 C6 O1 122.8(9) . . ?
C8 C7 C6 122.7(11) . . ?
C8 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
C7 C8 C9 119.9(10) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
N1 C9 C8 121.2(9) . . ?
N1 C9 C4 120.9(10) . . ?
C8 C9 C4 117.9(9) . . ?
C10 O1 C6 119.9(9) . . ?
O1 C10 C11 110.5(12) . . ?
O1 C10 H10A 109.5 . . ?
C11 C10 H10A 109.6 . . ?
O1 C10 H10B 109.6 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
O2 C11 C10 106.1(10) . . ?
O2 C11 H11A 110.5 . . ?
C10 C11 H11A 110.5 . . ?
O2 C11 H11B 110.5 . . ?
C10 C11 H11B 110.5 . . ?
H11A C11 H11B 108.7 . . ?
C12 O2 C11 119.1(12) . . ?
C12 O2 Ag2 113.8(10) . 2_556 ?
C11 O2 Ag2 127.1(7) . 2_556 ?
O2 C12 C13 111(2) . . ?
O2 C12 H12A 109.4 . . ?
C13 C12 H12A 109.3 . . ?
O2 C12 H12B 109.3 . . ?
C13 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
O3 C13 C12 118(4) . . ?
O3 C13 H13A 107.7 . . ?
C12 C13 H13A 107.7 . . ?
O3 C13 H13B 107.8 . . ?
C12 C13 H13B 107.8 . . ?
H13A C13 H13B 107.1 . . ?
C13 O3 C14 111(3) . . ?
O3 C14 C15 105(3) . . ?
O3 C14 H14A 110.7 . . ?
C15 C14 H14A 110.7 . . ?
O3 C14 H14B 110.6 . . ?
C15 C14 H14B 110.6 . . ?
H14A C14 H14B 108.7 . . ?
C14 C15 O4 118(3) . . ?
C14 C15 H15A 107.8 . . ?
O4 C15 H15A 107.7 . . ?
C14 C15 H15B 107.8 . . ?
O4 C15 H15B 107.9 . . ?
H15A C15 H15B 107.2 . . ?
C16 O4 C15 122(3) . . ?
C17 C16 O4 99(2) . . ?
C17 C16 H16A 112.0 . . ?
O4 C16 H16A 112.0 . . ?
C17 C16 H16B 111.9 . . ?
O4 C16 H16B 111.9 . . ?
H16A C16 H16B 109.6 . . ?
C16 C17 O5 98(3) . . ?
C16 C17 H17A 112.1 . . ?
O5 C17 H17A 112.1 . . ?
C16 C17 H17B 112.1 . . ?
O5 C17 H17B 112.2 . . ?
H17A C17 H17B 109.8 . . ?
C18 O5 C17 102(3) . . ?
O5 C18 C19 114(2) . . ?
O5 C18 H18A 108.8 . . ?
C19 C18 H18A 108.9 . . ?
O5 C18 H18B 108.8 . . ?
C19 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
O6 C19 C18 107.2(17) . . ?
O6 C19 H19A 110.3 . . ?
C18 C19 H19A 110.3 . . ?
O6 C19 H19B 110.3 . . ?
C18 C19 H19B 110.2 . . ?
H19A C19 H19B 108.5 . . ?
C20 O6 C19 120.9(13) . . ?
O6 C20 C28 117.7(13) . . ?
O6 C20 C21 124.5(12) . . ?
C28 C20 C21 117.7(13) . . ?
C22 C21 C20 121.0(13) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C23 C22 C21 125.5(17) . . ?
C23 C22 C26 116.1(16) . . ?
C21 C22 C26 118.4(13) . . ?
C22 C23 C24 123.0(17) . . ?
C22 C23 H23 118.5 . . ?
C24 C23 H23 118.5 . . ?
C25 C24 C23 119.5(17) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 N2 121.9(17) . . ?
C24 C25 H25 119.0 . . ?
N2 C25 H25 119.0 . . ?
C26 N2 C25 118.4(14) . . ?
C26 N2 Ag2 123.4(9) . . ?
C25 N2 Ag2 116.2(11) . . ?
N2 C26 C27 120.5(13) . . ?
N2 C26 C22 120.6(12) . . ?
C27 C26 C22 118.8(13) . . ?
C28 C27 C26 121.0(14) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C20 123.0(14) . . ?
C27 C28 H28 118.5 . . ?
C20 C28 H28 118.5 . . ?
C29 N3 C37 117.7(11) . . ?
C29 N3 Ag2 119.1(8) . . ?
C37 N3 Ag2 121.7(7) . . ?
N3 C29 C30 121.1(12) . . ?
N3 C29 H29 119.4 . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 122.6(12) . . ?
C31 C30 H30 118.7 . . ?
C29 C30 H30 118.7 . . ?
C30 C31 C32 118.0(12) . . ?
C30 C31 H31 121.0 . . ?
C32 C31 H31 121.0 . . ?
C31 C32 C37 118.1(11) . . ?
C31 C32 C33 123.4(10) . . ?
C37 C32 C33 118.4(9) . . ?
C34 C33 C32 119.2(9) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C33 C34 O7 124.3(9) . . ?
C33 C34 C35 122.3(9) . . ?
O7 C34 C35 113.5(8) . . ?
C36 C35 C34 121.0(9) . . ?
C36 C35 H35 119.5 . . ?
C34 C35 H35 119.5 . . ?
C35 C36 C37 119.3(9) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
N3 C37 C32 122.5(10) . . ?
N3 C37 C36 117.8(10) . . ?
C32 C37 C36 119.7(9) . . ?
C34 O7 C38 118.8(8) . . ?
O7 C38 C39 106.4(9) . . ?
O7 C38 H38A 110.4 . . ?
C39 C38 H38A 110.4 . . ?
O7 C38 H38B 110.4 . . ?
C39 C38 H38B 110.4 . . ?
H38A C38 H38B 108.6 . . ?
O8 C39 C38 107.2(9) . . ?
O8 C39 H39A 110.3 . . ?
C38 C39 H39A 110.3 . . ?
O8 C39 H39B 110.2 . . ?
C38 C39 H39B 110.3 . . ?
H39A C39 H39B 108.5 . . ?
C40 O8 C39 113.6(9) . . ?
O8 C40 C41 113.1(13) . . ?
O8 C40 H40A 108.9 . . ?
C41 C40 H40A 108.9 . . ?
O8 C40 H40B 109.0 . . ?
C41 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
O9 C41 C40 113.3(12) . . ?
O9 C41 H41A 108.9 . . ?
C40 C41 H41A 108.9 . . ?
O9 C41 H41B 108.9 . . ?
C40 C41 H41B 108.9 . . ?
H41A C41 H41B 107.7 . . ?
C42 O9 C41 109.4(11) . . ?
O9 C42 C42 112.7(16) . 2_556 ?
O9 C42 H42A 109.1 . . ?
C42 C42 H42A 109.2 2_556 . ?
O9 C42 H42B 109.0 . . ?
C42 C42 H42B 108.9 2_556 . ?
H42A C42 H42B 107.8 . . ?
F3 As1 F2 114.7(11) . . ?
F3 As1 F1 105.8(17) . . ?
F2 As1 F1 105.9(14) . . ?
F3 As1 F3 151.1(6) . 7 ?
F2 As1 F3 83.5(10) . 7 ?
F1 As1 F3 89.2(16) . 7 ?
F3 As1 F2 77.7(10) . 7 ?
F2 As1 F2 156.9(5) . 7 ?
F1 As1 F2 88.0(13) . 7 ?
F3 As1 F2 78.2(8) 7 7 ?
F3 As1 F1 83.8(14) . 7 ?
F2 As1 F1 88.4(11) . 7 ?
F1 As1 F1 156.7(6) . 7 ?
F3 As1 F1 73.9(12) 7 7 ?
F2 As1 F1 73.1(9) 7 7 ?
F6 As2 F6 180.0(5) 7_565 . ?
F6 As2 F4 88.8(5) 7_565 . ?
F6 As2 F4 91.2(5) . . ?
F6 As2 F4 91.2(5) 7_565 7_565 ?
F6 As2 F4 88.8(5) . 7_565 ?
F4 As2 F4 179.994(2) . 7_565 ?
F6 As2 F5 90.9(5) 7_565 . ?
F6 As2 F5 89.1(5) . . ?
F4 As2 F5 89.4(6) . . ?
F4 As2 F5 90.6(6) 7_565 . ?
F6 As2 F5 89.1(5) 7_565 7_565 ?
F6 As2 F5 90.9(5) . 7_565 ?
F4 As2 F5 90.6(6) . 7_565 ?
F4 As2 F5 89.4(6) 7_565 7_565 ?
F5 As2 F5 180.0(6) . 7_565 ?
F7 As3 F7 173.2(12) . 2 ?
F7 As3 F8 89.5(8) . 2 ?
F7 As3 F8 95.0(9) 2 2 ?
F7 As3 F8 95.0(9) . . ?
F7 As3 F8 89.5(8) 2 . ?
F8 As3 F8 97.5(15) 2 . ?
F7 As3 F9 90.5(9) . 2 ?
F7 As3 F9 84.9(8) 2 2 ?
F8 As3 F9 84.7(10) 2 2 ?
F8 As3 F9 174.2(10) . 2 ?
F7 As3 F9 84.9(8) . . ?
F7 As3 F9 90.5(9) 2 . ?
F8 As3 F9 174.2(10) 2 . ?
F8 As3 F9 84.7(10) . . ?
F9 As3 F9 93.6(12) 2 . ?
Cl3 C43 Cl1 101.1(14) . . ?
Cl3 C43 Cl2 115.3(16) . . ?
Cl1 C43 Cl2 101.6(14) . . ?
Cl3 C43 H43 112.6 . . ?
Cl1 C43 H43 112.6 . . ?
Cl2 C43 H43 112.6 . . ?
Cl4 C44 Cl6 113.7(14) . . ?
Cl4 C44 Cl5 116.7(14) . . ?
Cl6 C44 Cl5 103.9(12) . . ?
Cl4 C44 H44 107.4 . . ?
Cl6 C44 H44 107.4 . . ?
Cl5 C44 H44 107.4 . . ?
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 N1 2.198(9) . ?
Ag1 N1 2.198(9) 2_556 ?
Ag2 N2 2.171(13) . ?
Ag2 N3 2.187(10) . ?
Ag2 O2 2.599(9) 2_556 ?
N1 C1 1.323(15) . ?
N1 C9 1.375(13) . ?
C1 C2 1.378(19) . ?
C1 H1 0.9500 . ?
C2 C3 1.310(17) . ?
C2 H2 0.9500 . ?
C3 C4 1.465(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(15) . ?
C4 C9 1.434(14) . ?
C5 C6 1.379(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.360(15) . ?
C6 O1 1.399(12) . ?
C7 C8 1.333(14) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(15) . ?
C8 H8 0.9500 . ?
O1 C10 1.386(14) . ?
C10 C11 1.489(19) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 O2 1.412(18) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
O2 C12 1.385(16) . ?
O2 Ag2 2.599(9) 2_556 ?
C12 C13 1.43(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 O3 1.28(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
O3 C14 1.31(4) . ?
C14 C15 1.48(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O4 1.510(18) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
O4 C16 1.49(4) . ?
C16 C17 1.47(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 O5 1.57(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
O5 C18 1.36(4) . ?
C18 C19 1.54(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 O6 1.41(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
O6 C20 1.317(16) . ?
C20 C28 1.39(2) . ?
C20 C21 1.415(19) . ?
C21 C22 1.38(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.33(2) . ?
C22 C26 1.47(2) . ?
C23 C24 1.35(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.34(2) . ?
C24 H24 0.9500 . ?
C25 N2 1.382(18) . ?
C25 H25 0.9500 . ?
N2 C26 1.338(17) . ?
C26 C27 1.362(18) . ?
C27 C28 1.351(19) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
N3 C29 1.324(15) . ?
N3 C37 1.350(12) . ?
C29 C30 1.40(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.305(18) . ?
C30 H30 0.9500 . ?
C31 C32 1.400(15) . ?
C31 H31 0.9500 . ?
C32 C37 1.405(15) . ?
C32 C33 1.474(15) . ?
C33 C34 1.331(14) . ?
C33 H33 0.9500 . ?
C34 O7 1.390(11) . ?
C34 C35 1.393(14) . ?
C35 C36 1.377(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.427(14) . ?
C36 H36 0.9500 . ?
O7 C38 1.419(13) . ?
C38 C39 1.501(15) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 O8 1.421(14) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
O8 C40 1.395(16) . ?
C40 C41 1.48(2) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 O9 1.409(17) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
O9 C42 1.353(18) . ?
C42 C42 1.58(4) 2_556 ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
As1 As1 0.837(5) 7 ?
As1 F3 1.29(2) . ?
As1 F2 1.440(17) . ?
As1 F1 1.46(2) . ?
As1 F3 1.69(2) 7 ?
As1 F2 1.94(2) 7 ?
As1 F1 1.95(3) 7 ?
F1 As1 1.95(3) 7 ?
F2 As1 1.94(2) 7 ?
F3 As1 1.69(2) 7 ?
As2 F6 1.691(10) 7_565 ?
As2 F6 1.691(10) . ?
As2 F4 1.702(12) . ?
As2 F4 1.702(12) 7_565 ?
As2 F5 1.729(11) . ?
As2 F5 1.729(11) 7_565 ?
As3 F7 1.467(18) . ?
As3 F7 1.467(18) 2 ?
As3 F8 1.637(14) 2 ?
As3 F8 1.637(14) . ?
As3 F9 1.650(15) 2 ?
As3 F9 1.650(15) . ?
C43 Cl3 1.719(19) . ?
C43 Cl1 1.75(2) . ?
C43 Cl2 1.762(19) . ?
C43 H43 1.0000 . ?
C44 Cl4 1.727(18) . ?
C44 Cl6 1.728(18) . ?
C44 Cl5 1.747(18) . ?
C44 H44 1.0000 . ?
