#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:01:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180165 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/61/7106129.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_7106129
loop_
_publ_author_name
'Xiaobing Wang'
'Jing Huang'
'Shenglin Xiang'
'Yu Liu'
'Jianyong Zhang'
'Andreas Eichhofer'
'Dieter Fenske'
'Shi Bai'
'Cheng-Yong Su'
_publ_section_title
;
 Discrete Ag6L6 coordination nanotubular structures based on a T-shaped
 pyridyl diphosphine
;
_journal_name_full               Chem.Commun.
_journal_page_first              3849
_journal_paper_doi               10.1039/c0cc05235c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C210 H162 Ag6 F36 N6 P12 Sb6'
_chemical_formula_weight         5202.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.860(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.4879(6)
_cell_length_b                   34.8299(11)
_cell_length_c                   20.2362(10)
_cell_measurement_reflns_used    13250
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      61.2801
_cell_measurement_theta_min      2.2283
_cell_volume                     12703.9(9)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Oxford Germini S Ultra'
_diffrn_measurement_method       'ω '
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0853
_diffrn_reflns_av_sigmaI/netI    0.0863
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            93050
_diffrn_reflns_theta_full        61.61
_diffrn_reflns_theta_max         61.61
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    9.898
_exptl_absorpt_correction_T_max  0.3183
_exptl_absorpt_correction_T_min  0.1910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5112
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         5.056
_refine_diff_density_min         -1.951
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1125
_refine_ls_number_reflns         19309
_refine_ls_number_restraints     2035
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1550
_refine_ls_R_factor_gt           0.1116
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0751P)²+290.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2544
_refine_ls_wR_factor_ref         0.2789
_reflns_number_gt                10474
_reflns_number_total             19309
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc05235c.txt
_cod_data_source_block           Ag6L6-SbF6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7106129
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'
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 -0.17387(4) -0.13290(2) 1.10793(4) 0.0594(2) Uani 1 1 d . . 1
Ag2 Ag 0.04287(4) -0.13693(3) 0.80517(4) 0.0604(2) Uani 1 1 d . . 1
Ag3 Ag -0.25262(4) 0.09883(3) 0.81882(4) 0.0626(2) Uani 1 1 d . A 1
P1 P 0.11818(15) 0.14184(8) 0.77183(14) 0.0538(8) Uani 1 1 d . . 1
P2 P -0.18722(16) 0.12580(9) 0.73622(15) 0.0606(9) Uani 1 1 d . A 1
P3 P -0.08150(14) -0.16754(8) 0.77800(14) 0.0512(7) Uani 1 1 d . A 1
P4 P -0.21301(15) -0.16869(9) 1.00215(17) 0.0637(9) Uani 1 1 d . A 1
P5 P -0.33459(13) 0.11916(8) 0.89371(15) 0.0533(8) Uani 1 1 d . A 1
P6 P -0.17573(15) 0.15045(8) 1.15493(15) 0.0541(8) Uani 1 1 d . . 1
N3 N -0.2003(3) -0.0695(2) 1.0849(4) 0.048(2) Uani 1 1 d D A 1
C71 C -0.1455(5) -0.0419(2) 1.0959(5) 0.058(3) Uani 1 1 d DU A 1
H71A H -0.0955 -0.0500 1.1108 0.069 Uiso 1 1 calc R A 1
C72 C -0.1604(4) -0.0018(2) 1.0862(5) 0.060(3) Uani 1 1 d DU A 1
H72A H -0.1206 0.0161 1.0945 0.072 Uiso 1 1 calc R A 1
C73 C -0.2322(4) 0.0111(2) 1.0648(5) 0.053(3) Uani 1 1 d DU A 1
C74 C -0.2871(4) -0.0163(2) 1.0537(5) 0.056(3) Uani 1 1 d DU A 1
H74A H -0.3375 -0.0088 1.0386 0.067 Uiso 1 1 calc R A 1
C75 C -0.2692(5) -0.0545(3) 1.0645(6) 0.070(3) Uani 1 1 d DU A 1
H75A H -0.3093 -0.0722 1.0567 0.084 Uiso 1 1 calc R A 1
C76 C -0.2459(3) 0.04996(13) 1.0539(2) 0.040(2) Uiso 1 1 d GDU A 1
C77 C -0.2882(3) 0.06289(16) 0.9923(3) 0.043(3) Uiso 0.80 1 d PGDU A 1
H77A H -0.3118 0.0450 0.9590 0.051 Uiso 1 1 calc R A 1
C78 C -0.2958(4) 0.10205(17) 0.9794(3) 0.041(3) Uiso 0.70 1 d PGDU A 1
C79 C -0.2612(4) 0.12828(13) 1.0280(4) 0.035(2) Uiso 0.80 1 d PGDU A 1
H79A H -0.2665 0.1550 1.0192 0.042 Uiso 1 1 calc R A 1
C80 C -0.2190(4) 0.11534(15) 1.0896(3) 0.058(3) Uiso 1 1 d GDU A 1
C81 C -0.2113(3) 0.07618(16) 1.1025(3) 0.057(3) Uiso 1 1 d GDU A 1
H81A H -0.1824 0.0673 1.1446 0.068 Uiso 1 1 calc R A 1
N1 N 0.0230(4) -0.0723(2) 0.7849(3) 0.050(2) Uani 1 1 d DU A 1
C1 C 0.0458(6) -0.0528(2) 0.7345(5) 0.065(3) Uani 1 1 d DU A 1
H1A H 0.0729 -0.0663 0.7072 0.079 Uiso 1 1 calc R A 1
C2 C 0.0305(5) -0.0132(2) 0.7211(5) 0.064(3) Uani 1 1 d DU A 1
H2A H 0.0470 -0.0010 0.6851 0.077 Uiso 1 1 calc R A 1
C3 C -0.0077(4) 0.0075(2) 0.7595(4) 0.051(2) Uani 1 1 d DU A 1
C4 C -0.0331(5) -0.0119(2) 0.8092(4) 0.053(3) Uani 1 1 d DU A 1
H4A H -0.0616 0.0011 0.8359 0.063 Uiso 1 1 calc R A 1
C5 C -0.0169(5) -0.0505(2) 0.8198(4) 0.051(3) Uani 1 1 d DU A 1
H5A H -0.0352 -0.0628 0.8545 0.061 Uiso 1 1 calc R A 1
C6 C -0.0168(3) 0.04654(13) 0.7505(3) 0.050(2) Uiso 1 1 d GDU A 1
C7 C -0.0860(3) 0.06342(15) 0.7448(4) 0.052(3) Uiso 0.90 1 d PGDU A 1
H7A H -0.1286 0.0478 0.7428 0.063 Uiso 1 1 calc R A 1
C8 C -0.0930(3) 0.10316(16) 0.7420(4) 0.043(3) Uiso 0.80 1 d PGDU A 1
C9 C -0.0308(4) 0.12601(13) 0.7449(3) 0.030 Uiso 1 1 d GDU A 1
H9A H -0.0355 0.1532 0.7430 0.036 Uiso 1 1 calc R A 1
C10 C 0.0385(3) 0.10914(15) 0.7506(4) 0.052(3) Uiso 0.70 1 d PGDU A 1
C11 C 0.0455(3) 0.06940(16) 0.7534(4) 0.077(3) Uiso 1 1 d GDU A 1
H11A H 0.0928 0.0579 0.7573 0.093 Uiso 1 1 calc R A 1
N2 N -0.2376(4) 0.0338(2) 0.8287(4) 0.056(2) Uani 1 1 d DU A 1
C36 C -0.2005(5) 0.0182(2) 0.8887(4) 0.053(3) Uani 1 1 d DU A 1
H36A H -0.1817 0.0352 0.9252 0.064 Uiso 1 1 calc R A 1
C37 C -0.1880(5) -0.0221(2) 0.9001(4) 0.048(2) Uani 1 1 d DU A 1
H37A H -0.1623 -0.0311 0.9432 0.058 Uiso 1 1 calc R A 1
C38 C -0.2132(5) -0.0475(2) 0.8485(4) 0.058(3) Uani 1 1 d DU A 1
C39 C -0.2556(6) -0.0319(3) 0.7902(5) 0.073(3) Uani 1 1 d DU A 1
H39A H -0.2805 -0.0487 0.7555 0.088 Uiso 1 1 calc R A 1
C40 C -0.2634(6) 0.0074(3) 0.7802(5) 0.075(3) Uani 1 1 d DU A 1
H40A H -0.2883 0.0163 0.7367 0.090 Uiso 1 1 calc R A 1
C41 C -0.1983(3) -0.08638(14) 0.8580(3) 0.042(2) Uiso 1 1 d GDU A 1
C42 C -0.2112(4) -0.10517(17) 0.9149(3) 0.045(3) Uiso 0.80 1 d PGDU A 1
H42A H -0.2344 -0.0919 0.9456 0.054 Uiso 1 1 calc R A 1
C43 C -0.1902(4) -0.14331(17) 0.9267(3) 0.049(3) Uiso 0.80 1 d PGDU A 1
C44 C -0.1563(4) -0.16268(15) 0.8817(4) 0.056(3) Uiso 1 1 d GDU A 1
H44A H -0.1419 -0.1888 0.8898 0.067 Uiso 1 1 calc R A 1
C45 C -0.1434(4) -0.14390(17) 0.8249(4) 0.063(4) Uiso 0.80 1 d PGDU A 1
C46 C -0.1643(4) -0.10575(17) 0.8130(3) 0.066(3) Uiso 1 1 d GDU A 1
H46A H -0.1555 -0.0929 0.7741 0.079 Uiso 1 1 calc R A 1
C12 C 0.1718(4) 0.1276(3) 0.7122(4) 0.070(3) Uani 1 1 d DU B 1
C13 C 0.1377(4) 0.1124(3) 0.6495(3) 0.083(3) Uani 1 1 d DU B 1
H13A H 0.0855 0.1086 0.6373 0.100 Uiso 1 1 calc R B 1
C14 C 0.1839(4) 0.1027(3) 0.6041(4) 0.093(4) Uani 1 1 d DU B 1
H14A H 0.1629 0.0926 0.5604 0.111 Uiso 1 1 calc R B 1
C15 C 0.2585(5) 0.1081(4) 0.6243(4) 0.087(3) Uani 1 1 d DU B 1
H15A H 0.2888 0.1007 0.5942 0.105 Uiso 1 1 calc R B 1
C16 C 0.2912(5) 0.1229(4) 0.6836(4) 0.086(3) Uani 1 1 d DU B 1
H16A H 0.3435 0.1264 0.6948 0.104 Uiso 1 1 calc R B 1
C17 C 0.2476(4) 0.1335(3) 0.7302(5) 0.075(3) Uani 1 1 d DU B 1
H17A H 0.2701 0.1445 0.7729 0.090 Uiso 1 1 calc R B 1
C18 C 0.0957(5) 0.1924(2) 0.7528(4) 0.076(3) Uani 1 1 d DU C 1
C19 C 0.0757(5) 0.2032(3) 0.6852(5) 0.117(4) Uani 1 1 d DU C 1
H19A H 0.0716 0.1847 0.6501 0.141 Uiso 1 1 calc R C 1
C20 C 0.0617(7) 0.2422(3) 0.6702(5) 0.132(5) Uani 1 1 d DU C 1
H20A H 0.0472 0.2505 0.6245 0.159 Uiso 1 1 calc R C 1
C21 C 0.0692(9) 0.2679(3) 0.7219(4) 0.132(5) Uani 1 1 d DU C 1
H21A H 0.0623 0.2943 0.7109 0.159 Uiso 1 1 calc R C 1
C22 C 0.0852(9) 0.2582(3) 0.7857(5) 0.132(5) Uani 1 1 d DU C 1
H22A H 0.0841 0.2767 0.8200 0.158 Uiso 1 1 calc R C 1
C23 C 0.1047(9) 0.2188(3) 0.8029(5) 0.121(4) Uani 1 1 d DU C 1
H23A H 0.1236 0.2115 0.8487 0.146 Uiso 1 1 calc R C 1
C24 C -0.1714(5) 0.1780(3) 0.7434(5) 0.051(3) Uani 1 1 d DU A 1
C25 C -0.1422(5) 0.1943(4) 0.8027(6) 0.074(3) Uani 1 1 d DU A 1
H25A H -0.1299 0.1782 0.8416 0.089 Uiso 1 1 calc R A 1
C26 C -0.1283(6) 0.2347(4) 0.8113(7) 0.088(4) Uani 1 1 d DU A 1
H26A H -0.1076 0.2453 0.8547 0.105 Uiso 1 1 calc R A 1
C27 C -0.1448(8) 0.2566(4) 0.7576(7) 0.095(4) Uani 1 1 d DU A 1
H27A H -0.1345 0.2833 0.7611 0.114 Uiso 1 1 calc R A 1
C28 C -0.1760(9) 0.2412(2) 0.6984(8) 0.116(4) Uani 1 1 d DU A 1
H28A H -0.1928 0.2581 0.6614 0.139 Uiso 1 1 calc R A 1
C29 C -0.1864(8) 0.2005(2) 0.6862(7) 0.091(4) Uani 1 1 d DU A 1
H29A H -0.2023 0.1900 0.6419 0.109 Uiso 1 1 calc R A 1
C30 C -0.2370(4) 0.1172(3) 0.6502(4) 0.079(3) Uani 1 1 d DU A 1
C31 C -0.2037(5) 0.1143(3) 0.5951(4) 0.089(4) Uani 1 1 d DU A 1
H31A H -0.1515 0.1171 0.6017 0.107 Uiso 1 1 calc R A 1
C32 C -0.2468(5) 0.1071(3) 0.5298(5) 0.109(4) Uani 1 1 d DU A 1
H32A H -0.2244 0.1061 0.4919 0.131 Uiso 1 1 calc R A 1
C33 C -0.3214(5) 0.1016(4) 0.5216(5) 0.119(4) Uani 1 1 d DU A 1
H33A H -0.3500 0.0944 0.4784 0.142 Uiso 1 1 calc R A 1
C34 C -0.3547(6) 0.1061(5) 0.5719(4) 0.119(4) Uani 1 1 d DU A 1
H34A H -0.4073 0.1051 0.5636 0.143 Uiso 1 1 calc R A 1
C35 C -0.3126(5) 0.1124(4) 0.6386(5) 0.104(4) Uani 1 1 d DU A 1
H35A H -0.3367 0.1132 0.6755 0.125 Uiso 1 1 calc R A 1
C47 C -0.0802(5) -0.2191(3) 0.7932(5) 0.100(4) Uani 1 1 d DU A 1
C48 C -0.0161(6) -0.2335(3) 0.8355(5) 0.144(5) Uani 1 1 d DU A 1
H48A H 0.0247 -0.2170 0.8525 0.172 Uiso 1 1 calc R A 1
C49 C -0.0122(6) -0.2724(3) 0.8529(7) 0.151(5) Uani 1 1 d DU A 1
H49A H 0.0310 -0.2824 0.8824 0.181 Uiso 1 1 calc R A 1
C50 C -0.0703(6) -0.2959(3) 0.8275(8) 0.133(5) Uani 1 1 d DU A 1
H50A H -0.0658 -0.3226 0.8371 0.160 Uiso 1 1 calc R A 1
C51 C -0.1322(7) -0.2827(3) 0.7903(8) 0.152(5) Uani 1 1 d DU A 1
H51A H -0.1734 -0.2994 0.7767 0.183 Uiso 1 1 calc R A 1
C52 C -0.1383(7) -0.2432(3) 0.7698(8) 0.147(5) Uani 1 1 d DU A 1
H52A H -0.1823 -0.2339 0.7403 0.176 Uiso 1 1 calc R A 1
C53 C -0.1315(4) -0.1599(2) 0.6920(4) 0.049(2) Uani 1 1 d DU A 1
C54 C -0.2081(4) -0.1628(2) 0.6737(4) 0.062(3) Uani 1 1 d DU A 1
H54A H -0.2360 -0.1690 0.7064 0.075 Uiso 1 1 calc R A 1
C55 C -0.2440(5) -0.1562(3) 0.6052(4) 0.074(3) Uani 1 1 d DU A 1
H55A H -0.2966 -0.1573 0.5914 0.089 Uiso 1 1 calc R A 1
C56 C -0.2020(4) -0.1483(4) 0.5590(5) 0.080(3) Uani 1 1 d DU A 1
H56A H -0.2268 -0.1442 0.5132 0.096 Uiso 1 1 calc R A 1
C57 C -0.1290(4) -0.1460(3) 0.5747(4) 0.065(3) Uani 1 1 d DU A 1
H57A H -0.1017 -0.1414 0.5409 0.078 Uiso 1 1 calc R A 1
C58 C -0.0924(5) -0.1507(3) 0.6440(4) 0.062(3) Uani 1 1 d DU A 1
H58A H -0.0401 -0.1475 0.6571 0.075 Uiso 1 1 calc R A 1
C59 C -0.1782(4) -0.2179(2) 1.0007(5) 0.067(3) Uani 1 1 d DU A 1
C60 C -0.1011(4) -0.2220(2) 1.0178(5) 0.078(3) Uani 1 1 d DU A 1
H60A H -0.0695 -0.2002 1.0236 0.094 Uiso 1 1 calc R A 1
C61 C -0.0716(5) -0.2592(2) 1.0260(5) 0.081(3) Uani 1 1 d DU A 1
H61A H -0.0194 -0.2630 1.0374 0.097 Uiso 1 1 calc R A 1
C62 C -0.1184(4) -0.2899(3) 1.0174(6) 0.074(3) Uani 1 1 d DU A 1
H62A H -0.0978 -0.3150 1.0232 0.088 Uiso 1 1 calc R A 1
C63 C -0.1915(4) -0.2862(2) 1.0012(6) 0.068(3) Uani 1 1 d DU A 1
H63A H -0.2221 -0.3084 0.9946 0.081 Uiso 1 1 calc R A 1
C64 C -0.2240(5) -0.2492(2) 0.9938(5) 0.063(3) Uani 1 1 d DU A 1
H64A H -0.2764 -0.2461 0.9842 0.076 Uiso 1 1 calc R A 1
C65 C -0.3129(4) -0.1725(3) 0.9767(4) 0.064(3) Uani 1 1 d DU A 1
C66 C -0.3530(4) -0.1727(3) 1.0266(5) 0.083(3) Uani 1 1 d DU A 1
H66A H -0.3281 -0.1710 1.0729 0.099 Uiso 1 1 calc R A 1
C67 C -0.4309(5) -0.1753(3) 1.0086(5) 0.096(4) Uani 1 1 d DU A 1
H67A H -0.4591 -0.1751 1.0425 0.116 Uiso 1 1 calc R A 1
C68 C -0.4653(5) -0.1782(4) 0.9418(4) 0.088(4) Uani 1 1 d DU A 1
H68A H -0.5176 -0.1816 0.9298 0.105 Uiso 1 1 calc R A 1
C69 C -0.4280(4) -0.1764(4) 0.8931(5) 0.092(4) Uani 1 1 d DU A 1
H69A H -0.4539 -0.1759 0.8469 0.111 Uiso 1 1 calc R A 1
C70 C -0.3486(4) -0.1752(4) 0.9100(4) 0.077(3) Uani 1 1 d DU A 1
H70A H -0.3212 -0.1762 0.8755 0.093 Uiso 1 1 calc R A 1
C82 C -0.4290(4) 0.0995(3) 0.8742(4) 0.068(3) Uani 1 1 d DU A 1
C83 C -0.4620(4) 0.0931(2) 0.8057(4) 0.067(3) Uani 1 1 d DU A 1
H83A H -0.4353 0.0974 0.7713 0.081 Uiso 1 1 calc R A 1
C84 C -0.5358(4) 0.0802(3) 0.7895(5) 0.088(4) Uani 1 1 d DU A 1
H84A H -0.5597 0.0757 0.7436 0.105 Uiso 1 1 calc R A 1
C85 C -0.5734(5) 0.0741(4) 0.8396(4) 0.086(4) Uani 1 1 d DU A 1
H85A H -0.6233 0.0654 0.8277 0.103 Uiso 1 1 calc R A 1
C86 C -0.5420(5) 0.0801(4) 0.9044(5) 0.086(4) Uani 1 1 d DU A 1
H86A H -0.5694 0.0758 0.9382 0.104 Uiso 1 1 calc R A 1
C87 C -0.4674(4) 0.0928(3) 0.9231(5) 0.072(3) Uani 1 1 d DU A 1
H87A H -0.4443 0.0966 0.9695 0.086 Uiso 1 1 calc R A 1
C88 C -0.3428(4) 0.1708(3) 0.9004(5) 0.078(3) Uani 1 1 d DU A 1
C89 C -0.3955(5) 0.1864(3) 0.9310(5) 0.102(4) Uani 1 1 d DU A 1
H89A H -0.4290 0.1703 0.9474 0.123 Uiso 1 1 calc R A 1
C90 C -0.3994(6) 0.2265(3) 0.9379(6) 0.118(4) Uani 1 1 d DU A 1
H90A H -0.4344 0.2377 0.9602 0.142 Uiso 1 1 calc R A 1
C91 C -0.3523(5) 0.2490(3) 0.9123(7) 0.122(4) Uani 1 1 d DU A 1
H91A H -0.3594 0.2761 0.9113 0.147 Uiso 1 1 calc R A 1
C92 C -0.2974(7) 0.2348(3) 0.8888(8) 0.134(5) Uani 1 1 d DU A 1
H92A H -0.2618 0.2514 0.8765 0.161 Uiso 1 1 calc R A 1
C93 C -0.2915(6) 0.1944(3) 0.8819(7) 0.120(4) Uani 1 1 d DU A 1
H93A H -0.2522 0.1838 0.8645 0.144 Uiso 1 1 calc R A 1
C94 C -0.2315(4) 0.1427(3) 1.2173(4) 0.069(3) Uani 1 1 d DU D 1
C95 C -0.3071(4) 0.1356(3) 1.1970(4) 0.079(3) Uani 1 1 d DU D 1
H95A H -0.3300 0.1317 1.1506 0.095 Uiso 1 1 calc R D 1
C96 C -0.3485(5) 0.1345(3) 1.2473(4) 0.094(4) Uani 1 1 d DU D 1
H96A H -0.4005 0.1301 1.2348 0.112 Uiso 1 1 calc R D 1
C97 C -0.3153(5) 0.1396(4) 1.3138(5) 0.104(4) Uani 1 1 d DU D 1
H97A H -0.3444 0.1380 1.3469 0.125 Uiso 1 1 calc R D 1
C98 C -0.2439(5) 0.1467(4) 1.3333(5) 0.099(4) Uani 1 1 d DU D 1
H98A H -0.2218 0.1505 1.3799 0.119 Uiso 1 1 calc R D 1
C99 C -0.2001(5) 0.1486(4) 1.2841(4) 0.086(3) Uani 1 1 d DU D 1
H99A H -0.1485 0.1539 1.2979 0.103 Uiso 1 1 calc R D 1
C100 C -0.1952(4) 0.1974(2) 1.1185(5) 0.070(3) Uani 1 1 d DU E 1
C101 C -0.2460(5) 0.2227(2) 1.1399(6) 0.093(4) Uani 1 1 d DU E 1
H101 H -0.2746 0.2141 1.1707 0.112 Uiso 1 1 calc R E 1
C102 C -0.2534(6) 0.2605(3) 1.1150(6) 0.117(4) Uani 1 1 d DU E 1
H10C H -0.2852 0.2783 1.1302 0.141 Uiso 1 1 calc R E 1
C103 C -0.2146(6) 0.2710(3) 1.0691(6) 0.123(4) Uani 1 1 d DU E 1
H10D H -0.2235 0.2957 1.0489 0.148 Uiso 1 1 calc R E 1
C104 C -0.1646(7) 0.24868(19) 1.0506(7) 0.118(4) Uani 1 1 d DU E 1
H10E H -0.1328 0.2589 1.0240 0.141 Uiso 1 1 calc R E 1
C105 C -0.1581(6) 0.2089(2) 1.0707(5) 0.091(4) Uani 1 1 d DU E 1
H10F H -0.1291 0.1914 1.0515 0.110 Uiso 1 1 calc R E 1
Sb3 Sb -0.55914(6) 0.12415(5) 0.32692(6) 0.1240(5) Uani 1 1 d DU F 1
F13 F -0.5372(6) 0.0854(3) 0.2779(6) 0.210(6) Uani 1 1 d DU F 1
F14 F -0.5797(6) 0.1657(3) 0.3801(6) 0.186(5) Uani 1 1 d DU F 1
F15 F -0.4803(6) 0.1124(4) 0.3905(5) 0.186(5) Uani 1 1 d DU F 1
F16 F -0.5057(5) 0.1552(3) 0.2874(6) 0.190(5) Uani 1 1 d DU F 1
F17 F -0.6461(4) 0.1307(3) 0.2610(5) 0.151(4) Uani 1 1 d DU F 1
F18 F -0.6153(5) 0.0923(3) 0.3689(5) 0.177(4) Uani 1 1 d DU F 1
Sb1 Sb 0.03364(3) -0.100456(19) 1.02479(3) 0.04066(16) Uani 1 1 d U G 1
F1 F 0.1256(4) -0.1209(3) 1.0714(5) 0.116(3) Uani 1 1 d U G 1
F2 F -0.0532(3) -0.0789(3) 0.9799(4) 0.099(3) Uani 1 1 d U G 1
F3 F 0.0273(5) -0.1363(3) 0.9573(4) 0.127(3) Uani 1 1 d U G 1
F4 F -0.0171(4) -0.1324(2) 1.0713(4) 0.096(2) Uani 1 1 d U G 1
F5 F 0.0835(4) -0.0689(2) 0.9782(4) 0.089(2) Uani 1 1 d U G 1
F6 F 0.0383(4) -0.0653(3) 1.0945(4) 0.101(3) Uani 1 1 d U G 1
Sb2 Sb -0.06113(10) 0.18665(6) 0.49731(10) 0.1772(7) Uani 1 1 d DU H 1
F7 F -0.1522(6) 0.1661(5) 0.4856(9) 0.297(8) Uani 1 1 d DU H 1
F8 F 0.0385(5) 0.2032(4) 0.5197(6) 0.200(5) Uani 1 1 d DU H 1
F9 F -0.0407(6) 0.1475(4) 0.4482(6) 0.229(6) Uani 1 1 d DU H 1
F10 F -0.0963(8) 0.2164(4) 0.4317(6) 0.225(5) Uani 1 1 d DU H 1
F11 F -0.0844(6) 0.2111(3) 0.5754(5) 0.189(5) Uani 1 1 d DU H 1
F12 F -0.0307(8) 0.1477(4) 0.5653(6) 0.253(7) Uani 1 1 d DU H 1
C9' C -0.0191(7) 0.1114(4) 0.7471(6) 0.025 Uiso 0.60 1 d P I 2
C44' C -0.1656(8) -0.1456(4) 0.8588(7) 0.035 Uiso 0.60 1 d P J 2
C78' C -0.2643(6) 0.1075(3) 1.0322(5) 0.025 Uiso 0.70 1 d P K 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
N3 Ag1 P1 110.5(2) . 3_557 ?
N3 Ag1 P4 107.8(2) . . ?
P1 Ag1 P4 141.70(11) 3_557 . ?
N1 Ag2 P6 110.74(18) . 3_557 ?
N1 Ag2 P3 106.11(18) . . ?
P6 Ag2 P3 143.15(10) 3_557 . ?
N2 Ag3 P2 111.7(2) . . ?
N2 Ag3 P5 108.0(2) . . ?
P2 Ag3 P5 140.24(11) . . ?
C12 P1 C18 105.0(4) . . ?
C12 P1 C10 101.9(4) . . ?
C18 P1 C10 114.5(4) . . ?
C12 P1 Ag1 117.4(3) . 3_557 ?
C18 P1 Ag1 111.0(3) . 3_557 ?
C10 P1 Ag1 107.0(3) . 3_557 ?
C30 P2 C24 106.1(5) . . ?
C30 P2 C8 104.8(4) . . ?
C24 P2 C8 106.2(4) . . ?
C30 P2 Ag3 111.7(3) . . ?
C24 P2 Ag3 114.7(4) . . ?
C8 P2 Ag3 112.6(3) . . ?
C53 P3 C47 107.1(4) . . ?
C53 P3 C45 100.9(4) . . ?
C47 P3 C45 110.0(4) . . ?
C53 P3 Ag2 113.7(3) . . ?
C47 P3 Ag2 114.1(3) . . ?
C45 P3 Ag2 110.2(3) . . ?
C65 P4 C59 105.5(4) . . ?
C65 P4 C43 101.6(4) . . ?
C59 P4 C43 106.4(4) . . ?
C65 P4 Ag1 111.8(3) . . ?
C59 P4 Ag1 117.0(3) . . ?
C43 P4 Ag1 113.1(3) . . ?
C88 P5 C78 106.0(4) . . ?
C88 P5 C82 107.1(4) . . ?
C78 P5 C82 103.7(4) . . ?
C88 P5 Ag3 113.8(3) . . ?
C78 P5 Ag3 108.9(3) . . ?
C82 P5 Ag3 116.4(3) . . ?
C100 P6 C94 109.0(4) . . ?
C100 P6 C80 107.1(4) . . ?
C94 P6 C80 100.2(4) . . ?
C100 P6 Ag2 113.8(3) . 3_557 ?
C94 P6 Ag2 115.1(3) . 3_557 ?
C80 P6 Ag2 110.5(2) . 3_557 ?
C75 N3 C71 112.9(7) . . ?
C75 N3 Ag1 125.4(6) . . ?
C71 N3 Ag1 121.6(5) . . ?
N3 C71 C72 123.2(8) . . ?
N3 C71 H71A 118.4 . . ?
C72 C71 H71A 118.4 . . ?
C73 C72 C71 120.2(8) . . ?
C73 C72 H72A 119.9 . . ?
C71 C72 H72A 119.9 . . ?
C74 C73 C72 116.9(7) . . ?
C74 C73 C76 123.3(6) . . ?
C72 C73 C76 119.8(7) . . ?
C73 C74 C75 120.1(7) . . ?
C73 C74 H74A 119.9 . . ?
C75 C74 H74A 119.9 . . ?
N3 C75 C74 126.7(8) . . ?
N3 C75 H75A 116.6 . . ?
C74 C75 H75A 116.6 . . ?
C73 C76 C77 120.4(5) . . ?
C73 C76 C81 119.3(5) . . ?
C77 C76 C81 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77A 120.0 . . ?
C78 C77 H77A 120.0 . . ?
C77 C78 C79 120.0 . . ?
C77 C78 P5 120.1(3) . . ?
C79 C78 P5 118.7(3) . . ?
C80 C79 C78 120.0 . . ?
C80 C79 H79A 120.0 . . ?
C78 C79 H79A 120.0 . . ?
C79 C80 C81 120.0 . . ?
C79 C80 P6 119.6(3) . . ?
C81 C80 P6 120.3(3) . . ?
C80 C81 C76 120.0 . . ?
C80 C81 H81A 120.0 . . ?
C76 C81 H81A 120.0 . . ?
C5 N1 C1 113.7(7) . . ?
C5 N1 Ag2 122.5(6) . . ?
C1 N1 Ag2 123.7(6) . . ?
N1 C1 C2 122.9(9) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 120.6(8) . . ?
C3 C2 H2A 119.7 . . ?
C1 C2 H2A 119.7 . . ?
C2 C3 C6 120.6(7) . . ?
C2 C3 C4 117.3(7) . . ?
C6 C3 C4 122.0(7) . . ?
C3 C4 C5 119.5(8) . . ?
C3 C4 H4A 120.2 . . ?
C5 C4 H4A 120.2 . . ?
N1 C5 C4 125.9(8) . . ?
N1 C5 H5A 117.0 . . ?
C4 C5 H5A 117.0 . . ?
C3 C6 C7 120.8(4) . . ?
C3 C6 C11 118.9(4) . . ?
C7 C6 C11 120.0 . . ?
C6 C7 C8 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 P2 120.4(3) . . ?
C7 C8 P2 119.6(3) . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 P1 123.1(3) . . ?
C9 C10 P1 115.7(3) . . ?
C10 C11 C6 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C6 C11 H11A 120.0 . . ?
C40 N2 C36 113.6(8) . . ?
C40 N2 Ag3 126.4(6) . . ?
C36 N2 Ag3 119.9(6) . . ?
N2 C36 C37 124.3(8) . . ?
N2 C36 H36A 117.9 . . ?
C37 C36 H36A 117.9 . . ?
C38 C37 C36 119.7(7) . . ?
C38 C37 H37A 120.1 . . ?
C36 C37 H37A 120.1 . . ?
C37 C38 C39 115.5(7) . . ?
C37 C38 C41 120.2(7) . . ?
C39 C38 C41 124.3(7) . . ?
C38 C39 C40 122.5(9) . . ?
C38 C39 H39A 118.8 . . ?
C40 C39 H39A 118.8 . . ?
N2 C40 C39 123.8(9) . . ?
N2 C40 H40A 118.1 . . ?
C39 C40 H40A 118.1 . . ?
C38 C41 C42 120.6(5) . . ?
C38 C41 C46 119.2(5) . . ?
C42 C41 C46 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42A 120.0 . . ?
C43 C42 H42A 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 P4 121.1(4) . . ?
C42 C43 P4 118.8(4) . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C45 C44 H44A 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 P3 121.4(4) . . ?
C44 C45 P3 117.3(4) . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46A 120.0 . . ?
C41 C46 H46A 120.0 . . ?
C17 C12 C13 121.7(8) . . ?
C17 C12 P1 117.5(6) . . ?
C13 C12 P1 120.8(6) . . ?
C12 C13 C14 117.6(7) . . ?
C12 C13 H13A 121.2 . . ?
C14 C13 H13A 121.2 . . ?
C15 C14 C13 119.0(8) . . ?
C15 C14 H14A 120.5 . . ?
C13 C14 H14A 120.5 . . ?
C16 C15 C14 123.7(9) . . ?
C16 C15 H15A 118.1 . . ?
C14 C15 H15A 118.1 . . ?
C15 C16 C17 119.5(8) . . ?
C15 C16 H16A 120.3 . . ?
C17 C16 H16A 120.3 . . ?
C12 C17 C16 118.5(8) . . ?
C12 C17 H17A 120.7 . . ?
C16 C17 H17A 120.7 . . ?
C23 C18 C19 121.2(8) . . ?
C23 C18 P1 120.8(7) . . ?
C19 C18 P1 117.8(7) . . ?
C18 C19 C20 118.1(9) . . ?
C18 C19 H19A 121.0 . . ?
C20 C19 H19A 121.0 . . ?
C21 C20 C19 119.2(9) . . ?
C21 C20 H20A 120.4 . . ?
C19 C20 H20A 120.4 . . ?
C22 C21 C20 123.7(10) . . ?
C22 C21 H21A 118.2 . . ?
C20 C21 H21A 118.2 . . ?
C21 C22 C23 118.3(10) . . ?
C21 C22 H22A 120.8 . . ?
C23 C22 H22A 120.8 . . ?
C18 C23 C22 119.0(9) . . ?
C18 C23 H23A 120.5 . . ?
C22 C23 H23A 120.5 . . ?
C25 C24 C29 119.0(10) . . ?
C25 C24 P2 121.1(9) . . ?
C29 C24 P2 119.8(8) . . ?
C24 C25 C26 123.6(11) . . ?
C24 C25 H25A 118.2 . . ?
C26 C25 H25A 118.2 . . ?
C27 C26 C25 117.9(13) . . ?
C27 C26 H26A 121.0 . . ?
C25 C26 H26A 121.0 . . ?
C26 C27 C28 119.5(14) . . ?
C26 C27 H27A 120.2 . . ?
C28 C27 H27A 120.2 . . ?
C27 C28 C29 124.5(13) . . ?
C27 C28 H28A 117.7 . . ?
C29 C28 H28A 117.7 . . ?
C24 C29 C28 114.8(11) . . ?
C24 C29 H29A 122.6 . . ?
C28 C29 H29A 122.6 . . ?
C35 C30 C31 117.9(8) . . ?
C35 C30 P2 117.8(7) . . ?
C31 C30 P2 124.3(6) . . ?
C30 C31 C32 120.5(9) . . ?
C30 C31 H31A 119.7 . . ?
C32 C31 H31A 119.7 . . ?
C33 C32 C31 118.9(9) . . ?
C33 C32 H32A 120.5 . . ?
C31 C32 H32A 120.5 . . ?
C34 C33 C32 121.7(10) . . ?
C34 C33 H33A 119.1 . . ?
C32 C33 H33A 119.1 . . ?
C33 C34 C35 120.4(10) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C30 C35 C34 120.2(9) . . ?
C30 C35 H35A 119.9 . . ?
C34 C35 H35A 119.9 . . ?
C52 C47 C48 119.4(9) . . ?
C52 C47 P3 124.6(7) . . ?
C48 C47 P3 115.9(7) . . ?
C47 C48 C49 119.5(9) . . ?
C47 C48 H48A 120.2 . . ?
C49 C48 H48A 120.2 . . ?
C50 C49 C48 119.8(10) . . ?
C50 C49 H49A 120.1 . . ?
C48 C49 H49A 120.1 . . ?
C51 C50 C49 121.8(11) . . ?
C51 C50 H50A 119.1 . . ?
C49 C50 H50A 119.1 . . ?
C50 C51 C52 120.4(10) . . ?
C50 C51 H51A 119.8 . . ?
C52 C51 H51A 119.8 . . ?
C47 C52 C51 118.9(10) . . ?
C47 C52 H52A 120.6 . . ?
C51 C52 H52A 120.5 . . ?
C58 C53 C54 119.7(7) . . ?
C58 C53 P3 118.8(5) . . ?
C54 C53 P3 121.5(6) . . ?
C53 C54 C55 118.6(7) . . ?
C53 C54 H54A 120.7 . . ?
C55 C54 H54A 120.7 . . ?
C56 C55 C54 119.2(8) . . ?
C56 C55 H55A 120.4 . . ?
C54 C55 H55A 120.4 . . ?
C57 C56 C55 123.6(8) . . ?
C57 C56 H56A 118.2 . . ?
C55 C56 H56A 118.2 . . ?
C56 C57 C58 117.8(8) . . ?
C56 C57 H57A 121.1 . . ?
C58 C57 H57A 121.1 . . ?
C53 C58 C57 121.0(8) . . ?
C53 C58 H58A 119.5 . . ?
C57 C58 H58A 119.5 . . ?
C64 C59 C60 121.1(8) . . ?
C64 C59 P4 122.4(6) . . ?
C60 C59 P4 115.8(6) . . ?
C59 C60 C61 118.4(8) . . ?
C59 C60 H60A 120.8 . . ?
C61 C60 H60A 120.8 . . ?
C62 C61 C60 119.3(8) . . ?
C62 C61 H61A 120.3 . . ?
C60 C61 H61A 120.3 . . ?
C63 C62 C61 122.8(8) . . ?
C63 C62 H62A 118.6 . . ?
C61 C62 H62A 118.6 . . ?
C62 C63 C64 119.9(8) . . ?
C62 C63 H63A 120.0 . . ?
C64 C63 H63A 120.0 . . ?
C59 C64 C63 118.5(8) . . ?
C59 C64 H64A 120.8 . . ?
C63 C64 H64A 120.8 . . ?
C70 C65 C66 120.2(8) . . ?
C70 C65 P4 121.6(6) . . ?
C66 C65 P4 118.3(6) . . ?
C65 C66 C67 119.8(8) . . ?
C65 C66 H66A 120.1 . . ?
C67 C66 H66A 120.1 . . ?
C68 C67 C66 119.1(9) . . ?
C68 C67 H67A 120.5 . . ?
C66 C67 H67A 120.5 . . ?
C69 C68 C67 121.9(9) . . ?
C69 C68 H68A 119.0 . . ?
C67 C68 H68A 119.0 . . ?
C68 C69 C70 120.0(9) . . ?
C68 C69 H69A 120.0 . . ?
C70 C69 H69A 120.0 . . ?
C65 C70 C69 118.8(8) . . ?
C65 C70 H70A 120.6 . . ?
C69 C70 H70A 120.6 . . ?
C87 C82 C83 120.5(8) . . ?
C87 C82 P5 122.2(6) . . ?
C83 C82 P5 117.2(6) . . ?
C82 C83 C84 117.9(8) . . ?
C82 C83 H83A 121.0 . . ?
C84 C83 H83A 121.0 . . ?
C85 C84 C83 120.3(8) . . ?
C85 C84 H84A 119.8 . . ?
C83 C84 H84A 119.8 . . ?
C86 C85 C84 121.7(9) . . ?
C86 C85 H85A 119.2 . . ?
C84 C85 H85A 119.2 . . ?
C85 C86 C87 119.9(9) . . ?
C85 C86 H86A 120.1 . . ?
C87 C86 H86A 120.1 . . ?
C82 C87 C86 119.6(8) . . ?
C82 C87 H87A 120.2 . . ?
C86 C87 H87A 120.2 . . ?
C93 C88 C89 119.3(9) . . ?
C93 C88 P5 119.9(7) . . ?
C89 C88 P5 120.4(7) . . ?
C88 C89 C90 119.5(9) . . ?
C88 C89 H89A 120.2 . . ?
C90 C89 H89A 120.2 . . ?
C91 C90 C89 119.0(10) . . ?
C91 C90 H90A 120.5 . . ?
C89 C90 H90A 120.5 . . ?
C92 C91 C90 122.3(10) . . ?
C92 C91 H91A 118.8 . . ?
C90 C91 H91A 118.8 . . ?
C91 C92 C93 119.6(10) . . ?
C91 C92 H92A 120.2 . . ?
C93 C92 H92A 120.2 . . ?
C88 C93 C92 119.5(10) . . ?
C88 C93 H93A 120.2 . . ?
C92 C93 H93A 120.2 . . ?
C99 C94 C95 119.9(8) . . ?
C99 C94 P6 119.0(6) . . ?
C95 C94 P6 120.6(6) . . ?
C94 C95 C96 117.7(8) . . ?
C94 C95 H95A 121.1 . . ?
C96 C95 H95A 121.1 . . ?
C97 C96 C95 120.9(8) . . ?
C97 C96 H96A 119.5 . . ?
C95 C96 H96A 119.5 . . ?
C98 C97 C96 121.6(9) . . ?
C98 C97 H97A 119.2 . . ?
C96 C97 H97A 119.2 . . ?
C97 C98 C99 119.4(9) . . ?
C97 C98 H98A 120.3 . . ?
C99 C98 H98A 120.3 . . ?
C94 C99 C98 120.4(8) . . ?
C94 C99 H99A 119.8 . . ?
C98 C99 H99A 119.8 . . ?
C105 C100 C101 120.3(8) . . ?
C105 C100 P6 118.0(6) . . ?
C101 C100 P6 121.6(7) . . ?
C102 C101 C100 119.3(9) . . ?
C102 C101 H101 120.4 . . ?
C100 C101 H101 120.4 . . ?
C103 C102 C101 118.5(10) . . ?
C103 C102 H10C 120.7 . . ?
C101 C102 H10C 120.7 . . ?
C104 C103 C102 123.3(11) . . ?
C104 C103 H10D 118.3 . . ?
C102 C103 H10D 118.3 . . ?
C103 C104 C105 120.3(10) . . ?
C103 C104 H10E 119.9 . . ?
C105 C104 H10E 119.9 . . ?
C100 C105 C104 117.3(9) . . ?
C100 C105 H10F 121.4 . . ?
C104 C105 H10F 121.4 . . ?
F15 Sb3 F16 91.0(5) . . ?
F15 Sb3 F13 88.7(5) . . ?
F16 Sb3 F13 89.5(6) . . ?
F15 Sb3 F18 89.1(5) . . ?
F16 Sb3 F18 179.2(6) . . ?
F13 Sb3 F18 91.3(5) . . ?
F15 Sb3 F17 173.4(5) . . ?
F16 Sb3 F17 94.6(5) . . ?
F13 Sb3 F17 87.8(5) . . ?
F18 Sb3 F17 85.4(4) . . ?
F15 Sb3 F14 90.0(5) . . ?
F16 Sb3 F14 89.6(5) . . ?
F13 Sb3 F14 178.4(5) . . ?
F18 Sb3 F14 89.6(5) . . ?
F17 Sb3 F14 93.6(5) . . ?
F2 Sb1 F5 89.1(3) . . ?
F2 Sb1 F3 90.3(4) . . ?
F5 Sb1 F3 88.9(4) . . ?
F2 Sb1 F4 90.6(3) . . ?
F5 Sb1 F4 179.6(3) . . ?
F3 Sb1 F4 90.8(4) . . ?
F2 Sb1 F6 89.7(4) . . ?
F5 Sb1 F6 92.9(4) . . ?
F3 Sb1 F6 178.1(4) . . ?
F4 Sb1 F6 87.3(4) . . ?
F2 Sb1 F1 177.7(4) . . ?
F5 Sb1 F1 89.1(3) . . ?
F3 Sb1 F1 90.9(4) . . ?
F4 Sb1 F1 91.2(4) . . ?
F6 Sb1 F1 89.1(4) . . ?
F10 Sb2 F9 97.1(6) . . ?
F10 Sb2 F7 87.4(7) . . ?
F9 Sb2 F7 86.0(7) . . ?
F10 Sb2 F8 100.6(6) . . ?
F9 Sb2 F8 93.0(5) . . ?
F7 Sb2 F8 171.9(7) . . ?
F10 Sb2 F12 172.1(6) . . ?
F9 Sb2 F12 78.1(6) . . ?
F7 Sb2 F12 86.0(7) . . ?
F8 Sb2 F12 86.0(6) . . ?
F10 Sb2 F11 104.8(6) . . ?
F9 Sb2 F11 155.8(6) . . ?
F7 Sb2 F11 84.9(6) . . ?
F8 Sb2 F11 93.0(5) . . ?
F12 Sb2 F11 79.0(6) . . ?
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 N3 2.287(7) . ?
Ag1 P1 2.442(3) 3_557 ?
Ag1 P4 2.443(3) . ?
Ag2 N1 2.303(7) . ?
Ag2 P6 2.455(3) 3_557 ?
Ag2 P3 2.483(3) . ?
Ag3 N2 2.285(8) . ?
Ag3 P2 2.457(3) . ?
Ag3 P5 2.473(3) . ?
P1 C12 1.794(9) . ?
P1 C18 1.831(9) . ?
P1 C10 1.836(6) . ?
P1 Ag1 2.442(3) 3_557 ?
P2 C30 1.803(9) . ?
P2 C24 1.843(11) . ?
P2 C8 1.891(6) . ?
P3 C53 1.799(8) . ?
P3 C47 1.822(10) . ?
P3 C45 1.835(6) . ?
P4 C65 1.808(8) . ?
P4 C59 1.832(9) . ?
P4 C43 1.890(6) . ?
P5 C88 1.814(9) . ?
P5 C78 1.822(6) . ?
P5 C82 1.833(9) . ?
P6 C100 1.798(8) . ?
P6 C94 1.818(9) . ?
P6 C80 1.847(6) . ?
P6 Ag2 2.455(3) 3_557 ?
N3 C75 1.353(9) . ?
N3 C71 1.377(10) . ?
C71 C72 1.431(10) . ?
C71 H71A 0.9500 . ?
C72 C73 1.376(10) . ?
C72 H72A 0.9500 . ?
C73 C74 1.373(10) . ?
C73 C76 1.387(8) . ?
C74 C75 1.378(11) . ?
C74 H74A 0.9500 . ?
C75 H75A 0.9500 . ?
C76 C77 1.3900 . ?
C76 C81 1.3900 . ?
C77 C78 1.3900 . ?
C77 H77A 0.9500 . ?
C78 C79 1.3900 . ?
C79 C80 1.3900 . ?
C79 H79A 0.9500 . ?
C80 C81 1.3900 . ?
C81 H81A 0.9500 . ?
N1 C5 1.360(10) . ?
N1 C1 1.367(10) . ?
C1 C2 1.423(11) . ?
C1 H1A 0.9500 . ?
C2 C3 1.367(11) . ?
C2 H2A 0.9500 . ?
C3 C6 1.376(8) . ?
C3 C4 1.378(10) . ?
C4 C5 1.382(10) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.3900 . ?
C6 C11 1.3900 . ?
C7 C8 1.3900 . ?
C7 H7A 0.9500 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11A 0.9500 . ?
N2 C40 1.353(11) . ?
N2 C36 1.367(10) . ?
C36 C37 1.433(10) . ?
C36 H36A 0.9500 . ?
C37 C38 1.369(10) . ?
C37 H37A 0.9500 . ?
C38 C39 1.374(11) . ?
C38 C41 1.387(8) . ?
C39 C40 1.388(11) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C42 H42A 0.9500 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C44 H44A 0.9500 . ?
C45 C46 1.3900 . ?
C46 H46A 0.9500 . ?
C12 C17 1.383(9) . ?
C12 C13 1.390(9) . ?
C13 C14 1.428(7) . ?
C13 H13A 0.9500 . ?
C14 C15 1.362(10) . ?
C14 H14A 0.9500 . ?
C15 C16 1.322(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.420(10) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C23 1.351(10) . ?
C18 C19 1.386(10) . ?
C19 C20 1.403(10) . ?
C19 H19A 0.9500 . ?
C20 C21 1.361(11) . ?
C20 H20A 0.9500 . ?
C21 C22 1.302(11) . ?
C21 H21A 0.9500 . ?
C22 C23 1.442(11) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.328(15) . ?
C24 C29 1.374(15) . ?
C25 C26 1.437(18) . ?
C25 H25A 0.9500 . ?
C26 C27 1.305(19) . ?
C26 H26A 0.9500 . ?
C27 C28 1.321(19) . ?
C27 H27A 0.9500 . ?
C28 C29 1.447(8) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C35 1.375(10) . ?
C30 C31 1.393(10) . ?
C31 C32 1.405(10) . ?
C31 H31A 0.9500 . ?
C32 C33 1.366(10) . ?
C32 H32A 0.9500 . ?
C33 C34 1.310(11) . ?
C33 H33A 0.9500 . ?
C34 C35 1.417(10) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C47 C52 1.363(11) . ?
C47 C48 1.391(10) . ?
C48 C49 1.399(11) . ?
C48 H48A 0.9500 . ?
C49 C50 1.356(11) . ?
C49 H49A 0.9500 . ?
C50 C51 1.305(11) . ?
C50 H50A 0.9500 . ?
C51 C52 1.436(11) . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 C58 1.372(10) . ?
C53 C54 1.386(9) . ?
C54 C55 1.416(9) . ?
C54 H54A 0.9500 . ?
C55 C56 1.370(10) . ?
C55 H55A 0.9500 . ?
C56 C57 1.319(10) . ?
C56 H56A 0.9500 . ?
C57 C58 1.424(9) . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9500 . ?
C59 C64 1.368(9) . ?
C59 C60 1.398(9) . ?
C60 C61 1.400(10) . ?
C60 H60A 0.9500 . ?
C61 C62 1.363(10) . ?
C61 H61A 0.9500 . ?
C62 C63 1.323(9) . ?
C62 H62A 0.9500 . ?
C63 C64 1.418(10) . ?
C63 H63A 0.9500 . ?
C64 H64A 0.9500 . ?
C65 C70 1.368(9) . ?
C65 C66 1.378(10) . ?
C66 C67 1.409(10) . ?
C66 H66A 0.9500 . ?
C67 C68 1.363(10) . ?
C67 H67A 0.9500 . ?
C68 C69 1.325(11) . ?
C68 H68A 0.9500 . ?
C69 C70 1.432(10) . ?
C69 H69A 0.9500 . ?
C70 H70A 0.9500 . ?
C82 C87 1.362(10) . ?
C82 C83 1.402(9) . ?
C83 C84 1.405(9) . ?
C83 H83A 0.9500 . ?
C84 C85 1.366(10) . ?
C84 H84A 0.9500 . ?
C85 C86 1.328(10) . ?
C85 H85A 0.9500 . ?
C86 C87 1.417(10) . ?
C86 H86A 0.9500 . ?
C87 H87A 0.9500 . ?
C88 C93 1.369(11) . ?
C88 C89 1.377(10) . ?
C89 C90 1.406(10) . ?
C89 H89A 0.9500 . ?
C90 C91 1.358(11) . ?
C90 H90A 0.9500 . ?
C91 C92 1.309(12) . ?
C91 H91A 0.9500 . ?
C92 C93 1.423(11) . ?
C92 H92A 0.9500 . ?
C93 H93A 0.9500 . ?
C94 C99 1.363(10) . ?
C94 C95 1.388(9) . ?
C95 C96 1.406(10) . ?
C95 H95A 0.9500 . ?
C96 C97 1.360(10) . ?
C96 H96A 0.9500 . ?
C97 C98 1.315(10) . ?
C97 H97A 0.9500 . ?
C98 C99 1.417(11) . ?
C98 H98A 0.9500 . ?
C99 H99A 0.9500 . ?
C100 C105 1.365(11) . ?
C100 C101 1.422(7) . ?
C101 C102 1.407(10) . ?
C101 H101 0.9500 . ?
C102 C103 1.345(12) . ?
C102 H10C 0.9500 . ?
C103 C104 1.325(11) . ?
C103 H10D 0.9500 . ?
C104 C105 1.442(7) . ?
C104 H10E 0.9500 . ?
C105 H10F 0.9500 . ?
Sb3 F15 1.765(9) . ?
Sb3 F16 1.772(10) . ?
Sb3 F13 1.774(10) . ?
Sb3 F18 1.850(9) . ?
Sb3 F17 1.860(8) . ?
Sb3 F14 1.891(10) . ?
Sb1 F2 1.821(6) . ?
Sb1 F5 1.827(7) . ?
Sb1 F3 1.836(9) . ?
Sb1 F4 1.842(7) . ?
Sb1 F6 1.855(8) . ?
Sb1 F1 1.890(7) . ?
Sb2 F10 1.696(11) . ?
Sb2 F9 1.778(10) . ?
Sb2 F7 1.796(12) . ?
Sb2 F8 1.886(9) . ?
Sb2 F12 1.924(11) . ?
Sb2 F11 1.927(9) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 22 3 ' '
2 -0.005 0.000 0.492 1439 915 ' '
3 -0.118 0.275 0.299 133 73 ' '
4 -0.050 0.500 0.009 1437 912 ' '
5 0.119 0.726 0.700 131 79 ' '
6 0.381 0.226 0.800 132 75 ' '
7 0.500 0.500 0.500 22 3 ' '
8 0.619 0.774 0.200 130 76 ' '
