#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:19:34 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229065 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/02/7230256.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_7230256
loop_
_publ_author_name
'Jin, Jun-Ling'
'Shen, Yang-Lin'
'Xie, Yun-Peng'
'Lu, Xing'
_publ_section_title
;
 Silver ethynide clusters constructed with fluorinated β-diketonate
 ligands
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2036
_journal_paper_doi               10.1039/C8CE00243F
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C70 H84 Ag12 F24 O10'
_chemical_formula_weight         2835.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-15 deposited with the CCDC.
2018-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.631(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.9191(12)
_cell_length_b                   18.5105(14)
_cell_length_c                   16.4798(13)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.2877
_cell_measurement_theta_min      3.0461
_cell_volume                     4653.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL XT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31150
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.835
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.559
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_description       block
_exptl_crystal_F_000             2728
_exptl_crystal_size_max          0.315
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.195
_refine_diff_density_max         1.565
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         8131
_refine_ls_number_restraints     339
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0151P)²+111.7992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1584
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7373
_reflns_number_total             8131
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00243f2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7230255--7230262.cif.
;
_cod_database_code               7230256
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.499
_shelx_estimated_absorpt_t_max   0.635
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.40686(5) 0.42303(5) -0.06690(5) 0.0366(2) Uani 1 1 d . . . . .
Ag2 Ag 0.33596(6) 0.54530(5) -0.17675(5) 0.0393(2) Uani 1 1 d . . . . .
Ag3 Ag 0.44973(6) 0.55860(5) 0.14590(6) 0.0439(2) Uani 1 1 d . . . . .
Ag4 Ag 0.32300(6) 0.44730(5) 0.06775(5) 0.0408(2) Uani 1 1 d . . . . .
Ag5 Ag 0.49377(6) 0.41424(5) 0.20841(6) 0.0424(2) Uani 1 1 d . . . . .
Ag6 Ag 0.54529(6) 0.35360(5) 0.06825(5) 0.0435(2) Uani 1 1 d . . . . .
F1 F 0.4600(7) 0.2010(5) 0.0540(9) 0.099(4) Uani 1 1 d . . . . .
F2 F 0.3613(7) 0.1342(5) 0.0765(8) 0.095(3) Uani 1 1 d . . . . .
F3 F 0.4488(8) 0.1933(7) 0.1776(9) 0.118(4) Uani 1 1 d . . . . .
F4 F 0.0444(6) 0.3016(8) 0.0064(8) 0.111(4) Uani 1 1 d . . . . .
F5 F 0.0925(7) 0.2168(6) 0.0920(12) 0.144(6) Uani 1 1 d . . . . .
F6 F 0.0751(8) 0.3218(8) 0.1325(9) 0.121(5) Uani 1 1 d . . . . .
F7 F 0.9298(6) 0.5569(7) 0.4113(8) 0.113(4) Uani 1 1 d . . . . .
F8 F 0.8778(7) 0.5180(6) 0.5070(6) 0.091(3) Uani 1 1 d . . . . .
F9 F 0.9160(7) 0.4444(6) 0.4262(7) 0.102(4) Uani 1 1 d . . . . .
F10A F 0.4981(11) 0.604(2) 0.338(2) 0.092(16) Uani 0.39(5) 1 d D . P A 1
F11A F 0.598(3) 0.610(3) 0.4583(12) 0.106(18) Uani 0.39(5) 1 d D . P A 1
F12A F 0.599(3) 0.6849(11) 0.358(4) 0.12(2) Uani 0.39(5) 1 d D . P A 1
F10B F 0.531(2) 0.5637(16) 0.399(2) 0.18(2) Uani 0.61(5) 1 d D . P A 2
F11B F 0.6245(16) 0.6518(16) 0.4397(15) 0.103(11) Uani 0.61(5) 1 d D . P A 2
F12B F 0.531(2) 0.654(2) 0.3137(12) 0.14(2) Uani 0.61(5) 1 d D . P A 2
O5 O 0.3781(5) 0.3198(4) 0.0713(6) 0.048(2) Uani 1 1 d . . . . .
O6 O 0.2011(6) 0.3721(5) 0.0644(7) 0.057(2) Uani 1 1 d . . . . .
O7 O 0.6077(5) 0.5480(5) 0.2600(5) 0.0444(19) Uani 1 1 d . . . . .
O8 O 0.7834(5) 0.4818(5) 0.2946(6) 0.057(2) Uani 1 1 d . . . . .
C1 C 0.2973(7) 0.4846(6) -0.0703(7) 0.040(3) Uani 1 1 d D U . . .
C2 C 0.2264(6) 0.5120(6) -0.0799(7) 0.040(2) Uani 1 1 d D U . . .
C3 C 0.1383(8) 0.5450(7) -0.0908(8) 0.060(3) Uani 1 1 d D U . . .
C4 C 0.1235(13) 0.5588(11) -0.0053(10) 0.110(7) Uani 1 1 d D U . . .
H4A H 0.0655 0.5805 -0.0134 0.166 Uiso 1 1 calc R U . . .
H4B H 0.1268 0.5131 0.0254 0.166 Uiso 1 1 calc R U . . .
H4C H 0.1686 0.5920 0.0275 0.166 Uiso 1 1 calc R U . . .
C5 C 0.0705(11) 0.4916(12) -0.1413(14) 0.142(9) Uani 1 1 d D U . . .
H5A H 0.0116 0.5115 -0.1498 0.213 Uiso 1 1 calc R U . . .
H5B H 0.0806 0.4830 -0.1965 0.213 Uiso 1 1 calc R U . . .
H5C H 0.0757 0.4459 -0.1102 0.213 Uiso 1 1 calc R U . . .
C6 C 0.1335(13) 0.6152(9) -0.1393(12) 0.122(8) Uani 1 1 d D U . . .
H6A H 0.0759 0.6375 -0.1470 0.184 Uiso 1 1 calc R U . . .
H6B H 0.1793 0.6482 -0.1075 0.184 Uiso 1 1 calc R U . . .
H6C H 0.1421 0.6054 -0.1949 0.184 Uiso 1 1 calc R U . . .
C7 C 0.3836(7) 0.4815(6) 0.2048(8) 0.039(2) Uani 1 1 d D U . . .
C8 C 0.3311(8) 0.4915(6) 0.2434(8) 0.045(3) Uani 1 1 d D U . . .
C9 C 0.2627(10) 0.5076(9) 0.2868(11) 0.101(4) Uani 1 1 d D U . . .
C10 C 0.2041(12) 0.4437(10) 0.2810(12) 0.101(4) Uani 1 1 d D U . . .
H10A H 0.1594 0.4545 0.3095 0.151 Uiso 1 1 calc R U . . .
H10B H 0.1756 0.4325 0.2213 0.151 Uiso 1 1 calc R U . . .
H10C H 0.2389 0.4020 0.3082 0.151 Uiso 1 1 calc R U . . .
C11 C 0.2052(14) 0.5733(11) 0.2464(14) 0.143(8) Uani 1 1 d D U . . .
H11A H 0.2425 0.6159 0.2497 0.215 Uiso 1 1 calc R U . . .
H11B H 0.1748 0.5627 0.1870 0.215 Uiso 1 1 calc R U . . .
H11C H 0.1619 0.5827 0.2771 0.215 Uiso 1 1 calc R U . . .
C12 C 0.3104(12) 0.5273(11) 0.3781(10) 0.110(6) Uani 1 1 d D U . . .
H12A H 0.3479 0.5695 0.3788 0.165 Uiso 1 1 calc R U . . .
H12B H 0.2674 0.5388 0.4084 0.165 Uiso 1 1 calc R U . . .
H12C H 0.3465 0.4865 0.4057 0.165 Uiso 1 1 calc R U . . .
C13 C 0.3961(7) 0.6501(6) -0.2029(7) 0.038(2) Uani 1 1 d . U . . .
C14 C 0.3481(7) 0.6972(6) -0.2411(6) 0.036(2) Uani 1 1 d . U . . .
C15 C 0.2903(8) 0.7531(7) -0.2892(7) 0.053(3) Uani 1 1 d D U . . .
C16A C 0.3395(13) 0.7961(11) -0.3402(15) 0.083(7) Uani 0.76(3) 1 d D U P B 1
H16A H 0.3010 0.8338 -0.3727 0.124 Uiso 0.76(3) 1 calc R U P B 1
H16B H 0.3915 0.8185 -0.3016 0.124 Uiso 0.76(3) 1 calc R U P B 1
H16C H 0.3576 0.7637 -0.3791 0.124 Uiso 0.76(3) 1 calc R U P B 1
C17A C 0.2104(12) 0.7178(12) -0.3519(13) 0.077(7) Uani 0.76(3) 1 d D U P B 1
H17A H 0.1717 0.7555 -0.3841 0.116 Uiso 0.76(3) 1 calc R U P B 1
H17B H 0.2300 0.6866 -0.3910 0.116 Uiso 0.76(3) 1 calc R U P B 1
H17C H 0.1784 0.6888 -0.3207 0.116 Uiso 0.76(3) 1 calc R U P B 1
C18A C 0.258(2) 0.8028(13) -0.2326(14) 0.119(11) Uani 0.76(3) 1 d D U P B 1
H18A H 0.2195 0.8395 -0.2670 0.178 Uiso 0.76(3) 1 calc R U P B 1
H18B H 0.2253 0.7748 -0.2011 0.178 Uiso 0.76(3) 1 calc R U P B 1
H18C H 0.3081 0.8264 -0.1926 0.178 Uiso 0.76(3) 1 calc R U P B 1
C16B C 0.289(5) 0.770(4) -0.381(2) 0.090(16) Uani 0.24(3) 1 d D U P B 2
H16D H 0.2463 0.8083 -0.4035 0.135 Uiso 0.24(3) 1 calc R U P B 2
H16E H 0.3470 0.7849 -0.3827 0.135 Uiso 0.24(3) 1 calc R U P B 2
H16F H 0.2712 0.7261 -0.4158 0.135 Uiso 0.24(3) 1 calc R U P B 2
C17B C 0.1930(19) 0.746(4) -0.292(5) 0.088(15) Uani 0.24(3) 1 d D U P B 2
H17D H 0.1596 0.7858 -0.3257 0.132 Uiso 0.24(3) 1 calc R U P B 2
H17E H 0.1700 0.6999 -0.3183 0.132 Uiso 0.24(3) 1 calc R U P B 2
H17F H 0.1875 0.7481 -0.2345 0.132 Uiso 0.24(3) 1 calc R U P B 2
C18B C 0.321(4) 0.824(2) -0.241(4) 0.075(15) Uani 0.24(3) 1 d D U P B 2
H18D H 0.2840 0.8639 -0.2707 0.113 Uiso 0.24(3) 1 calc R U P B 2
H18E H 0.3155 0.8200 -0.1836 0.113 Uiso 0.24(3) 1 calc R U P B 2
H18F H 0.3820 0.8332 -0.2388 0.113 Uiso 0.24(3) 1 calc R U P B 2
C25 C 0.5100(7) 0.3558(5) -0.0708(6) 0.032(2) Uani 1 1 d . U . . .
C26 C 0.5566(7) 0.3093(5) -0.0846(6) 0.033(2) Uani 1 1 d D U . . .
C27 C 0.6067(8) 0.2469(6) -0.1057(7) 0.048(3) Uani 1 1 d D U . . .
C28 C 0.6621(13) 0.2745(9) -0.1608(14) 0.098(6) Uani 1 1 d D U . . .
H28A H 0.6953 0.2342 -0.1751 0.146 Uiso 1 1 calc R U . . .
H28B H 0.6238 0.2954 -0.2129 0.146 Uiso 1 1 calc R U . . .
H28C H 0.7029 0.3114 -0.1299 0.146 Uiso 1 1 calc R U . . .
C29 C 0.5408(12) 0.1931(8) -0.1576(13) 0.091(5) Uani 1 1 d D U . . .
H29A H 0.5721 0.1517 -0.1722 0.136 Uiso 1 1 calc R U . . .
H29B H 0.5023 0.1764 -0.1244 0.136 Uiso 1 1 calc R U . . .
H29C H 0.5056 0.2164 -0.2096 0.136 Uiso 1 1 calc R U . . .
C30 C 0.6601(15) 0.2096(11) -0.0231(11) 0.112(7) Uani 1 1 d D U . . .
H30A H 0.6928 0.1688 -0.0371 0.168 Uiso 1 1 calc R U . . .
H30B H 0.7012 0.2443 0.0121 0.168 Uiso 1 1 calc R U . . .
H30C H 0.6201 0.1919 0.0079 0.168 Uiso 1 1 calc R U . . .
C31 C 0.4029(9) 0.1968(7) 0.0969(11) 0.060(4) Uani 1 1 d . U . . .
C32 C 0.3422(8) 0.2644(6) 0.0837(7) 0.040(2) Uani 1 1 d . U . . .
C33 C 0.2578(8) 0.2543(7) 0.0878(9) 0.050(3) Uani 1 1 d . U . . .
H33 H 0.2418 0.2067 0.0991 0.060 Uiso 1 1 calc R U . . .
C34 C 0.1946(8) 0.3069(7) 0.0768(8) 0.045(3) Uani 1 1 d . U . . .
C35 C 0.1035(9) 0.2851(8) 0.0778(10) 0.059(3) Uani 1 1 d . U . . .
C36 C 0.8794(9) 0.5056(8) 0.4282(9) 0.060(4) Uani 1 1 d . U . . .
C37 C 0.7867(7) 0.5100(7) 0.3624(7) 0.043(3) Uani 1 1 d . U . . .
C38 C 0.7239(8) 0.5479(7) 0.3884(8) 0.048(3) Uani 1 1 d . U . . .
H38 H 0.7382 0.5635 0.4457 0.058 Uiso 1 1 calc R U . . .
C39 C 0.6418(8) 0.5640(7) 0.3356(7) 0.043(3) Uani 1 1 d . U . . .
C40 C 0.5849(8) 0.6119(8) 0.3730(7) 0.066(4) Uani 1 1 d D U . . .
C101 C 0.354(7) 0.348(5) 0.352(7) 0.28(5) Uiso 0.50(2) 1 d D . P C 1
O101 O 0.400(5) 0.285(4) 0.339(4) 0.25(2) Uiso 0.50(2) 1 d D . P C 1
C102 C 0.531(4) 0.408(3) 0.401(4) 0.14(2) Uiso 0.50(2) 1 d D . P C 2
O102 O 0.486(4) 0.353(3) 0.344(4) 0.25(2) Uiso 0.50(2) 1 d D . P C 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
Ag Ag -0.8971 1.1015 '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
C1 Ag1 C25 175.3(4) . .
C1 Ag1 Ag2 51.9(3) . .
C25 Ag1 Ag2 128.0(3) . .
C1 Ag1 Ag4 51.2(3) . .
C25 Ag1 Ag4 130.6(3) . .
Ag2 Ag1 Ag4 99.89(3) . .
C1 Ag1 Ag6 134.7(3) . .
C25 Ag1 Ag6 48.2(3) . .
Ag2 Ag1 Ag6 151.86(4) . .
Ag4 Ag1 Ag6 84.18(3) . .
C1 Ag1 Ag3 132.5(3) . 3_665
C25 Ag1 Ag3 48.5(3) . 3_665
Ag2 Ag1 Ag3 81.24(3) . 3_665
Ag4 Ag1 Ag3 153.17(4) . 3_665
Ag6 Ag1 Ag3 82.99(3) . 3_665
C13 Ag2 C1 141.5(4) . .
C13 Ag2 O8 108.2(4) . 3_665
C1 Ag2 O8 101.3(4) . 3_665
C13 Ag2 O7 104.4(4) . 3_665
C1 Ag2 O7 107.0(3) . 3_665
O8 Ag2 O7 74.6(3) 3_665 3_665
C13 Ag2 Ag6 47.4(3) . 3_665
C1 Ag2 Ag6 96.6(3) . 3_665
O8 Ag2 Ag6 151.8(2) 3_665 3_665
O7 Ag2 Ag6 120.55(18) 3_665 3_665
C13 Ag2 Ag1 132.5(3) . .
C1 Ag2 Ag1 44.9(3) . .
O8 Ag2 Ag1 115.2(3) 3_665 .
O7 Ag2 Ag1 70.83(19) 3_665 .
Ag6 Ag2 Ag1 92.87(3) 3_665 .
C13 Ag2 Ag5 45.5(3) . 3_665
C1 Ag2 Ag5 134.8(3) . 3_665
O8 Ag2 Ag5 117.8(2) 3_665 3_665
O7 Ag2 Ag5 66.23(19) 3_665 3_665
Ag6 Ag2 Ag5 58.78(3) 3_665 3_665
Ag1 Ag2 Ag5 95.35(3) . 3_665
C7 Ag3 C25 168.3(4) . 3_665
C7 Ag3 C26 144.6(4) . 3_665
C25 Ag3 C26 26.9(4) 3_665 3_665
C7 Ag3 Ag5 47.6(3) . .
C25 Ag3 Ag5 141.7(3) 3_665 .
C26 Ag3 Ag5 167.7(2) 3_665 .
C7 Ag3 Ag4 50.7(3) . .
C25 Ag3 Ag4 122.2(3) 3_665 .
C26 Ag3 Ag4 122.7(2) 3_665 .
Ag5 Ag3 Ag4 64.43(3) . .
C7 Ag3 Ag1 144.2(3) . 3_665
C25 Ag3 Ag1 44.6(3) 3_665 3_665
C26 Ag3 Ag1 71.0(2) 3_665 3_665
Ag5 Ag3 Ag1 97.17(4) . 3_665
Ag4 Ag3 Ag1 114.29(4) . 3_665
C7 Ag4 C1 143.4(4) . .
C7 Ag4 O6 107.3(4) . .
C1 Ag4 O6 103.9(4) . .
C7 Ag4 O5 101.1(3) . .
C1 Ag4 O5 105.5(4) . .
O6 Ag4 O5 74.2(3) . .
C7 Ag4 Ag3 47.3(3) . .
C1 Ag4 Ag3 97.5(3) . .
O6 Ag4 Ag3 151.9(2) . .
O5 Ag4 Ag3 117.45(19) . .
C7 Ag4 Ag1 129.6(3) . .
C1 Ag4 Ag1 44.6(3) . .
O6 Ag4 Ag1 116.0(2) . .
O5 Ag4 Ag1 69.0(2) . .
Ag3 Ag4 Ag1 92.02(4) . .
C7 Ag4 Ag5 43.8(3) . .
C1 Ag4 Ag5 132.2(3) . .
O6 Ag4 Ag5 116.0(2) . .
O5 Ag4 Ag5 64.5(2) . .
Ag3 Ag4 Ag5 57.22(3) . .
Ag1 Ag4 Ag5 92.53(3) . .
C7 Ag5 C13 175.7(4) . 3_665
C7 Ag5 O102 92.3(15) . .
C13 Ag5 O102 91.9(15) 3_665 .
C7 Ag5 Ag3 48.4(3) . .
C13 Ag5 Ag3 128.3(3) 3_665 .
O102 Ag5 Ag3 131.5(14) . .
C7 Ag5 Ag6 128.5(3) . .
C13 Ag5 Ag6 47.7(3) 3_665 .
O102 Ag5 Ag6 128.6(14) . .
Ag3 Ag5 Ag6 99.81(4) . .
C7 Ag5 Ag2 128.7(3) . 3_665
C13 Ag5 Ag2 48.7(3) 3_665 3_665
O102 Ag5 Ag2 122.5(15) . 3_665
Ag3 Ag5 Ag2 81.11(3) . 3_665
Ag6 Ag5 Ag2 58.70(3) . 3_665
C7 Ag5 Ag4 47.5(3) . .
C13 Ag5 Ag4 129.3(3) 3_665 .
O102 Ag5 Ag4 119.7(15) . .
Ag3 Ag5 Ag4 58.34(3) . .
Ag6 Ag5 Ag4 82.37(3) . .
Ag2 Ag5 Ag4 117.74(4) 3_665 .
C13 Ag6 C25 169.5(4) 3_665 .
C13 Ag6 C26 145.9(4) 3_665 .
C25 Ag6 C26 25.8(3) . .
C13 Ag6 Ag2 50.8(3) 3_665 3_665
C25 Ag6 Ag2 124.1(3) . 3_665
C26 Ag6 Ag2 124.6(2) . 3_665
C13 Ag6 Ag5 47.6(3) 3_665 .
C25 Ag6 Ag5 141.2(3) . .
C26 Ag6 Ag5 166.5(2) . .
Ag2 Ag6 Ag5 62.52(3) 3_665 .
C13 Ag6 Ag1 143.7(3) 3_665 .
C25 Ag6 Ag1 44.8(3) . .
C26 Ag6 Ag1 70.3(2) . .
Ag2 Ag6 Ag1 113.66(4) 3_665 .
Ag5 Ag6 Ag1 96.49(4) . .
C32 O5 Ag4 128.0(8) . .
C34 O6 Ag4 132.6(8) . .
C39 O7 Ag2 125.9(8) . 3_665
C37 O8 Ag2 131.4(8) . 3_665
C2 C1 Ag1 170.0(11) . .
C2 C1 Ag4 98.7(8) . .
Ag1 C1 Ag4 84.1(4) . .
C2 C1 Ag2 98.0(8) . .
Ag1 C1 Ag2 83.3(4) . .
Ag4 C1 Ag2 152.4(6) . .
C1 C2 C3 179.0(13) . .
C2 C3 C4 110.4(11) . .
C2 C3 C6 108.6(11) . .
C4 C3 C6 110.3(11) . .
C2 C3 C5 107.2(12) . .
C4 C3 C5 110.1(11) . .
C6 C3 C5 110.3(11) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 Ag5 139.9(10) . .
C8 C7 Ag3 129.6(9) . .
Ag5 C7 Ag3 84.0(4) . .
C8 C7 Ag4 114.0(10) . .
Ag5 C7 Ag4 88.7(4) . .
Ag3 C7 Ag4 82.0(4) . .
C7 C8 C9 176.1(14) . .
C10 C9 C8 109.7(13) . .
C10 C9 C12 112.3(12) . .
C8 C9 C12 107.2(13) . .
C10 C9 C11 108.2(12) . .
C8 C9 C11 111.8(14) . .
C12 C9 C11 107.6(12) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 Ag5 141.3(10) . 3_665
C14 C13 Ag6 125.7(10) . 3_665
Ag5 C13 Ag6 84.7(4) 3_665 3_665
C14 C13 Ag2 118.6(9) . .
Ag5 C13 Ag2 85.8(4) 3_665 .
Ag6 C13 Ag2 81.8(4) 3_665 .
C13 C14 C15 178.6(12) . .
C14 C15 C18A 111.8(13) . .
C14 C15 C16A 109.0(11) . .
C18A C15 C16A 110.1(12) . .
C14 C15 C18B 106(3) . .
C14 C15 C17A 109.7(12) . .
C18A C15 C17A 108.2(12) . .
C16A C15 C17A 107.9(11) . .
C14 C15 C16B 120(3) . .
C18B C15 C16B 105(2) . .
C14 C15 C17B 115(3) . .
C18B C15 C17B 105(2) . .
C16B C15 C17B 104(2) . .
C15 C16A H16A 109.5 . .
C15 C16A H16B 109.5 . .
H16A C16A H16B 109.5 . .
C15 C16A H16C 109.5 . .
H16A C16A H16C 109.5 . .
H16B C16A H16C 109.5 . .
C15 C17A H17A 109.5 . .
C15 C17A H17B 109.5 . .
H17A C17A H17B 109.5 . .
C15 C17A H17C 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C15 C18A H18A 109.5 . .
C15 C18A H18B 109.5 . .
H18A C18A H18B 109.5 . .
C15 C18A H18C 109.5 . .
H18A C18A H18C 109.5 . .
H18B C18A H18C 109.5 . .
C15 C16B H16D 109.5 . .
C15 C16B H16E 109.5 . .
H16D C16B H16E 109.5 . .
C15 C16B H16F 109.5 . .
H16D C16B H16F 109.5 . .
H16E C16B H16F 109.5 . .
C15 C17B H17D 109.5 . .
C15 C17B H17E 109.5 . .
H17D C17B H17E 109.5 . .
C15 C17B H17F 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
C15 C18B H18D 109.5 . .
C15 C18B H18E 109.5 . .
H18D C18B H18E 109.5 . .
C15 C18B H18F 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C26 C25 Ag1 166.8(9) . .
C26 C25 Ag6 101.3(8) . .
Ag1 C25 Ag6 87.0(4) . .
C26 C25 Ag3 96.6(8) . 3_665
Ag1 C25 Ag3 86.9(4) . 3_665
Ag6 C25 Ag3 124.5(5) . 3_665
C25 C26 C27 174.3(12) . .
C25 C26 Ag3 56.6(6) . 3_665
C27 C26 Ag3 126.1(7) . 3_665
C25 C26 Ag6 52.9(6) . .
C27 C26 Ag6 129.1(7) . .
Ag3 C26 Ag6 94.0(3) 3_665 .
C26 C27 C29 108.0(10) . .
C26 C27 C28 108.6(10) . .
C29 C27 C28 107.9(14) . .
C26 C27 C30 109.6(11) . .
C29 C27 C30 108.6(14) . .
C28 C27 C30 114.1(15) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
F1 C31 F3 106.1(13) . .
F1 C31 F2 106.8(14) . .
F3 C31 F2 107.6(13) . .
F1 C31 C32 112.2(11) . .
F3 C31 C32 108.8(13) . .
F2 C31 C32 114.9(11) . .
O5 C32 C33 129.3(11) . .
O5 C32 C31 113.4(11) . .
C33 C32 C31 117.3(10) . .
C34 C33 C32 125.8(12) . .
C34 C33 H33 117.1 . .
C32 C33 H33 117.1 . .
O6 C34 C33 128.4(12) . .
O6 C34 C35 113.0(11) . .
C33 C34 C35 118.6(11) . .
F5 C35 F6 106.7(14) . .
F5 C35 F4 106.7(15) . .
F6 C35 F4 101.3(13) . .
F5 C35 C34 116.1(12) . .
F6 C35 C34 113.0(13) . .
F4 C35 C34 111.8(12) . .
F9 C36 F7 108.7(14) . .
F9 C36 F8 108.4(13) . .
F7 C36 F8 105.3(12) . .
F9 C36 C37 112.0(11) . .
F7 C36 C37 109.0(12) . .
F8 C36 C37 113.1(12) . .
O8 C37 C38 130.8(11) . .
O8 C37 C36 113.5(11) . .
C38 C37 C36 115.6(11) . .
C39 C38 C37 123.5(12) . .
C39 C38 H38 118.3 . .
C37 C38 H38 118.3 . .
O7 C39 C38 130.0(12) . .
O7 C39 C40 113.9(10) . .
C38 C39 C40 116.0(11) . .
F11B C40 F12B 109.1(14) . .
F10A C40 F11A 106.0(16) . .
F11B C40 F10B 107.0(13) . .
F12B C40 F10B 106.0(14) . .
F10A C40 F12A 103.0(16) . .
F11A C40 F12A 102.4(15) . .
F11B C40 C39 117.7(15) . .
F10A C40 C39 115.1(15) . .
F12B C40 C39 112.1(13) . .
F11A C40 C39 117.9(19) . .
F10B C40 C39 104.0(15) . .
F12A C40 C39 110.7(17) . .
C102 O102 Ag5 97(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.071(10) .
Ag1 C25 2.076(11) .
Ag1 Ag2 2.9162(12) .
Ag1 Ag4 2.9331(12) .
Ag1 Ag6 2.9426(12) .
Ag1 Ag3 2.9536(12) 3_665
Ag2 C13 2.259(11) .
Ag2 C1 2.311(11) .
Ag2 O8 2.349(8) 3_665
Ag2 O7 2.525(8) 3_665
Ag2 Ag6 2.8876(13) 3_665
Ag2 Ag5 2.9983(13) 3_665
Ag3 C7 2.162(11) .
Ag3 C25 2.216(10) 3_665
Ag3 C26 2.637(10) 3_665
Ag3 Ag5 2.8775(13) .
Ag3 Ag4 2.9131(13) .
Ag3 Ag1 2.9535(12) 3_665
Ag4 C7 2.277(12) .
Ag4 C1 2.299(12) .
Ag4 O6 2.376(9) .
Ag4 O5 2.513(8) .
Ag4 Ag5 3.0872(13) .
Ag5 C7 2.137(11) .
Ag5 C13 2.143(11) 3_665
Ag5 O102 2.54(7) .
Ag5 Ag6 2.8900(13) .
Ag5 Ag2 2.9983(13) 3_665
Ag6 C13 2.148(11) 3_665
Ag6 C25 2.198(10) .
Ag6 C26 2.703(10) .
Ag6 Ag2 2.8876(13) 3_665
F1 C31 1.303(18) .
F2 C31 1.329(16) .
F3 C31 1.323(19) .
F4 C35 1.315(18) .
F5 C35 1.306(17) .
F6 C35 1.310(18) .
F7 C36 1.324(19) .
F8 C36 1.325(18) .
F9 C36 1.279(17) .
F10A C40 1.344(17) .
F11A C40 1.360(18) .
F12A C40 1.401(17) .
F10B C40 1.385(17) .
F11B C40 1.324(16) .
F12B C40 1.356(16) .
O5 C32 1.219(13) .
O6 C34 1.233(15) .
O7 C39 1.244(14) .
O7 Ag2 2.525(8) 3_665
O8 C37 1.221(15) .
O8 Ag2 2.349(8) 3_665
C1 C2 1.205(12) .
C2 C3 1.492(12) .
C3 C4 1.516(15) .
C3 C6 1.517(15) .
C3 C5 1.524(16) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.201(13) .
C8 C9 1.495(14) .
C9 C10 1.493(16) .
C9 C12 1.522(16) .
C9 C11 1.553(17) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.209(15) .
C13 Ag5 2.143(11) 3_665
C13 Ag6 2.148(11) 3_665
C14 C15 1.459(15) .
C15 C18A 1.502(16) .
C15 C16A 1.528(16) .
C15 C18B 1.54(2) .
C15 C17A 1.537(15) .
C15 C16B 1.538(19) .
C15 C17B 1.54(2) .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C16A H16C 0.9800 .
C17A H17A 0.9800 .
C17A H17B 0.9800 .
C17A H17C 0.9800 .
C18A H18A 0.9800 .
C18A H18B 0.9800 .
C18A H18C 0.9800 .
C16B H16D 0.9800 .
C16B H16E 0.9800 .
C16B H16F 0.9800 .
C17B H17D 0.9800 .
C17B H17E 0.9800 .
C17B H17F 0.9800 .
C18B H18D 0.9800 .
C18B H18E 0.9800 .
C18B H18F 0.9800 .
C25 C26 1.199(14) .
C25 Ag3 2.216(10) 3_665
C26 C27 1.500(12) .
C26 Ag3 2.637(10) 3_665
C27 C29 1.521(15) .
C27 C28 1.525(14) .
C27 C30 1.546(14) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.557(17) .
C32 C33 1.378(17) .
C33 C34 1.375(18) .
C33 H33 0.9500 .
C34 C35 1.509(18) .
C36 C37 1.563(15) .
C37 C38 1.386(18) .
C38 C39 1.381(16) .
C38 H38 0.9500 .
C39 C40 1.518(18) .
C101 O101 1.44(2) .
C102 O102 1.43(2) .
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
Ag1 C25 C26 Ag3 105(4) . 3_665
Ag6 C25 C26 Ag3 -127.2(6) . 3_665
Ag1 C25 C26 Ag6 -128(4) . .
Ag3 C25 C26 Ag6 127.2(6) 3_665 .
Ag3 C26 C27 C29 -110.3(12) 3_665 .
Ag6 C26 C27 C29 114.8(12) . .
Ag3 C26 C27 C28 6.4(16) 3_665 .
Ag6 C26 C27 C28 -128.5(12) . .
Ag3 C26 C27 C30 131.6(13) 3_665 .
Ag6 C26 C27 C30 -3.3(17) . .
Ag4 O5 C32 C33 10(2) . .
Ag4 O5 C32 C31 -169.9(9) . .
F1 C31 C32 O5 -31.5(18) . .
F3 C31 C32 O5 85.6(15) . .
F2 C31 C32 O5 -153.8(13) . .
F1 C31 C32 C33 148.6(13) . .
F3 C31 C32 C33 -94.3(15) . .
F2 C31 C32 C33 26(2) . .
O5 C32 C33 C34 1(2) . .
C31 C32 C33 C34 -179.2(14) . .
Ag4 O6 C34 C33 -8(2) . .
Ag4 O6 C34 C35 173.0(9) . .
C32 C33 C34 O6 -3(2) . .
C32 C33 C34 C35 176.1(13) . .
O6 C34 C35 F5 -178.9(15) . .
C33 C34 C35 F5 2(2) . .
O6 C34 C35 F6 -55.1(18) . .
C33 C34 C35 F6 126.0(15) . .
O6 C34 C35 F4 58.4(18) . .
C33 C34 C35 F4 -120.5(15) . .
Ag2 O8 C37 C38 -13(2) 3_665 .
Ag2 O8 C37 C36 170.3(9) 3_665 .
F9 C36 C37 O8 -40.0(19) . .
F7 C36 C37 O8 80.3(16) . .
F8 C36 C37 O8 -162.9(13) . .
F9 C36 C37 C38 143.2(14) . .
F7 C36 C37 C38 -96.5(16) . .
F8 C36 C37 C38 20.3(18) . .
O8 C37 C38 C39 -4(2) . .
C36 C37 C38 C39 172.6(12) . .
Ag2 O7 C39 C38 14.0(19) 3_665 .
Ag2 O7 C39 C40 -169.5(8) 3_665 .
C37 C38 C39 O7 2(2) . .
C37 C38 C39 C40 -174.5(12) . .
O7 C39 C40 F11B -156.6(19) . .
C38 C39 C40 F11B 20(2) . .
O7 C39 C40 F10A 29(3) . .
C38 C39 C40 F10A -154(2) . .
O7 C39 C40 F12B -29(2) . .
C38 C39 C40 F12B 148(2) . .
O7 C39 C40 F11A 155(3) . .
C38 C39 C40 F11A -28(3) . .
O7 C39 C40 F10B 85(2) . .
C38 C39 C40 F10B -98(2) . .
O7 C39 C40 F12A -87(3) . .
C38 C39 C40 F12A 90(3) . .
