#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:41:51 +0300 (Fri, 05 May 2023) $
#$Revision: 283347 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/19/7711987.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_7711987
loop_
_publ_author_name
'Omaña, Alvaro A'
'Frenette, Brandon L.'
'Dornsiepen, Eike'
'Kobayashi, Ryo'
'Ferguson, Michael J.'
'Iwamoto, Takeaki'
'Rivard, Eric'
_publ_section_title
;
 Frustrated Lewis pair-ligated tetrelenes.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              774
_journal_page_last               786
_journal_paper_doi               10.1039/d2dt03807b
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C50 H80 Ag2 B2 F6 O6 P2 S2, 2(C7 H8)'
_chemical_formula_sum            'C64 H96 Ag2 B2 F6 O6 P2 S2'
_chemical_formula_weight         1438.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-11-18 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.1129(11)
_cell_angle_beta                 105.9672(11)
_cell_angle_gamma                108.6188(9)
_cell_formula_units_Z            1
_cell_length_a                   11.0509(3)
_cell_length_b                   11.8386(3)
_cell_length_c                   14.3836(4)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      74.02
_cell_measurement_theta_min      3.32
_cell_volume                     1650.69(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            72300
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.081
_diffrn_reflns_theta_min         3.319
_diffrn_source                   'Incoatec I\mS microfocus X-ray source'
_exptl_absorpt_coefficient_mu    6.350
_exptl_absorpt_correction_T_max  0.8395
_exptl_absorpt_correction_T_min  0.4566
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       plate
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.169
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         6441
_refine_ls_number_restraints     310
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0414P)²+0.9807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0720
_refine_ls_wR_factor_ref         0.0725
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6261
_reflns_number_total             6441
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03807b3.cif
_cod_data_source_block           riv2180
_cod_depositor_comments
'Adding full bibliography for 7711983--7711989.cif.'
_cod_database_code               7711987
_shelx_shelxl_version_number     2018/3
_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   0.413
_shelx_estimated_absorpt_t_max   0.790
loop_
_space_group_symop_operation_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_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 0.75950(2) 0.46616(2) 0.85335(2) 0.03179(6) Uani 1 1 d . . . . .
S1 S 1.09195(5) 0.58722(5) 0.91888(4) 0.02902(10) Uani 1 1 d . . . . .
P1 P 0.58362(4) 0.51261(4) 0.75292(3) 0.02359(10) Uani 1 1 d . . . . .
F1 F 1.26836(16) 0.72058(16) 0.84937(13) 0.0590(4) Uani 1 1 d . . . . .
F2 F 1.05909(15) 0.65041(15) 0.75046(11) 0.0480(3) Uani 1 1 d . . . . .
F3 F 1.16841(15) 0.52931(15) 0.76646(11) 0.0480(3) Uani 1 1 d . . . . .
O1 O 0.97442(14) 0.47188(14) 0.86917(12) 0.0363(3) Uani 1 1 d . . . . .
O2 O 1.20722(15) 0.57244(16) 0.98584(12) 0.0393(3) Uani 1 1 d . . . . .
O3 O 1.06089(19) 0.69048(17) 0.95493(13) 0.0458(4) Uani 1 1 d . . . . .
C1 C 0.45152(19) 0.38303(18) 0.65023(15) 0.0271(4) Uani 1 1 d . . . . .
C2 C 0.4750(2) 0.27404(18) 0.62508(15) 0.0275(4) Uani 1 1 d . . . . .
C3 C 0.3681(2) 0.1746(2) 0.54918(18) 0.0391(5) Uani 1 1 d . . . . .
H3 H 0.380601 0.099543 0.530991 0.047 Uiso 1 1 calc R U . . .
C4 C 0.2454(2) 0.1815(2) 0.49980(18) 0.0445(6) Uani 1 1 d . . . . .
H4 H 0.175727 0.112228 0.448510 0.053 Uiso 1 1 calc R U . . .
C5 C 0.2244(2) 0.2891(2) 0.52513(19) 0.0452(6) Uani 1 1 d . . . . .
H5 H 0.140450 0.294563 0.491087 0.054 Uiso 1 1 calc R U . . .
C6 C 0.3262(2) 0.3892(2) 0.60047(18) 0.0376(5) Uani 1 1 d . . . . .
H6 H 0.311170 0.462873 0.618725 0.045 Uiso 1 1 calc R U . . .
C10 C 1.1506(2) 0.6245(2) 0.81607(17) 0.0361(5) Uani 1 1 d . . . . .
C11 C 0.4902(2) 0.56246(19) 0.82854(16) 0.0307(4) Uani 1 1 d . . . . .
H11 H 0.419773 0.585555 0.784638 0.037 Uiso 1 1 calc R U . . .
C12 C 0.4177(2) 0.4538(2) 0.86426(17) 0.0374(5) Uani 1 1 d . . . . .
H12A H 0.357774 0.382983 0.806070 0.045 Uiso 1 1 calc R U . . .
H12B H 0.485413 0.430868 0.908429 0.045 Uiso 1 1 calc R U . . .
H12C H 0.363406 0.477980 0.901174 0.045 Uiso 1 1 calc R U . . .
C13 C 0.5848(3) 0.6750(2) 0.91696(18) 0.0414(5) Uani 1 1 d . . . . .
H13A H 0.629842 0.743034 0.891956 0.050 Uiso 1 1 calc R U . . .
H13B H 0.531651 0.700645 0.954232 0.050 Uiso 1 1 calc R U . . .
H13C H 0.653659 0.653533 0.961486 0.050 Uiso 1 1 calc R U . . .
C14 C 0.6470(2) 0.63708(19) 0.69404(16) 0.0309(4) Uani 1 1 d . . . . .
H14 H 0.657072 0.596407 0.631711 0.037 Uiso 1 1 calc R U . . .
C15 C 0.5481(2) 0.7006(2) 0.6608(2) 0.0445(5) Uani 1 1 d . . . . .
H15A H 0.458303 0.637864 0.618392 0.053 Uiso 1 1 calc R U . . .
H15B H 0.540490 0.747380 0.720058 0.053 Uiso 1 1 calc R U . . .
H15C H 0.582010 0.757119 0.622580 0.053 Uiso 1 1 calc R U . . .
C16 C 0.7888(2) 0.7320(2) 0.7606(2) 0.0411(5) Uani 1 1 d . . . . .
H16A H 0.850028 0.688980 0.780766 0.049 Uiso 1 1 calc R U . . .
H16B H 0.824315 0.788754 0.723019 0.049 Uiso 1 1 calc R U . . .
H16C H 0.782795 0.779014 0.820498 0.049 Uiso 1 1 calc R U . . .
C21A C 0.6170(8) 0.1840(6) 0.7646(5) 0.0268(14) Uani 0.541(8) 1 d D U P A 1
H21A H 0.688547 0.248763 0.825532 0.032 Uiso 0.541(8) 1 calc R U P A 1
C22A C 0.6642(5) 0.0744(4) 0.7538(4) 0.0338(11) Uani 0.541(8) 1 d D U P A 1
H22A H 0.595472 0.005792 0.695527 0.041 Uiso 0.541(8) 1 calc R U P A 1
H22B H 0.751019 0.100952 0.740727 0.041 Uiso 0.541(8) 1 calc R U P A 1
C23A C 0.6845(14) 0.0277(15) 0.8487(11) 0.046(4) Uani 0.541(8) 1 d D U P A 1
H23A H 0.713728 -0.042693 0.838675 0.055 Uiso 0.541(8) 1 calc R U P A 1
H23B H 0.757025 0.094683 0.906424 0.055 Uiso 0.541(8) 1 calc R U P A 1
C24A C 0.5532(8) -0.0133(6) 0.8716(6) 0.0448(14) Uani 0.541(8) 1 d D U P A 1
H24A H 0.568553 -0.041766 0.933330 0.054 Uiso 0.541(8) 1 calc R U P A 1
H24B H 0.481940 -0.083419 0.815570 0.054 Uiso 0.541(8) 1 calc R U P A 1
C25A C 0.5056(8) 0.0935(6) 0.8858(5) 0.0440(14) Uani 0.541(8) 1 d D U P A 1
H25A H 0.573253 0.161062 0.945320 0.053 Uiso 0.541(8) 1 calc R U P A 1
H25B H 0.417728 0.065026 0.897251 0.053 Uiso 0.541(8) 1 calc R U P A 1
C26A C 0.4887(15) 0.1410(16) 0.7925(12) 0.046(3) Uani 0.541(8) 1 d D U P A 1
H26A H 0.458990 0.210978 0.803124 0.055 Uiso 0.541(8) 1 calc R U P A 1
H26B H 0.415330 0.074269 0.735039 0.055 Uiso 0.541(8) 1 calc R U P A 1
C21B C 0.5847(8) 0.1515(8) 0.7392(7) 0.0307(18) Uani 0.459(8) 1 d D U P A 2
H21B H 0.533148 0.069896 0.687431 0.037 Uiso 0.459(8) 1 calc R U P A 2
C22B C 0.7174(5) 0.1417(6) 0.7998(4) 0.0344(14) Uani 0.459(8) 1 d D U P A 2
H22C H 0.770089 0.131949 0.755622 0.041 Uiso 0.459(8) 1 calc R U P A 2
H22D H 0.773495 0.218686 0.854704 0.041 Uiso 0.459(8) 1 calc R U P A 2
C23B C 0.6866(15) 0.0320(15) 0.8438(12) 0.041(4) Uani 0.459(8) 1 d D U P A 2
H23C H 0.773139 0.030869 0.886487 0.049 Uiso 0.459(8) 1 calc R U P A 2
H23D H 0.640522 -0.045457 0.788594 0.049 Uiso 0.459(8) 1 calc R U P A 2
C24B C 0.5961(8) 0.0369(8) 0.9065(6) 0.0475(17) Uani 0.459(8) 1 d D U P A 2
H24C H 0.573110 -0.038896 0.929909 0.057 Uiso 0.459(8) 1 calc R U P A 2
H24D H 0.646146 0.109072 0.966353 0.057 Uiso 0.459(8) 1 calc R U P A 2
C25B C 0.4657(8) 0.0472(9) 0.8451(7) 0.0506(19) Uani 0.459(8) 1 d D U P A 2
H25C H 0.411210 0.054524 0.888395 0.061 Uiso 0.459(8) 1 calc R U P A 2
H25D H 0.411248 -0.029552 0.789667 0.061 Uiso 0.459(8) 1 calc R U P A 2
C26B C 0.4930(15) 0.1583(16) 0.8010(11) 0.030(3) Uani 0.459(8) 1 d D U P A 2
H26C H 0.538081 0.236116 0.855925 0.036 Uiso 0.459(8) 1 calc R U P A 2
H26D H 0.405839 0.157755 0.757747 0.036 Uiso 0.459(8) 1 calc R U P A 2
C31 C 0.7276(2) 0.27831(17) 0.63168(15) 0.0270(4) Uani 1 1 d . . . . .
H31 H 0.811526 0.282614 0.683804 0.032 Uiso 1 1 calc R U . . .
C32 C 0.7629(2) 0.39599(18) 0.59554(16) 0.0308(4) Uani 1 1 d . . . . .
H32A H 0.678759 0.396512 0.548664 0.037 Uiso 1 1 calc R U . . .
H32B H 0.799835 0.469353 0.653912 0.037 Uiso 1 1 calc R U . . .
C33 C 0.8674(2) 0.4055(2) 0.54263(18) 0.0362(5) Uani 1 1 d . . . . .
H33A H 0.882068 0.479804 0.517049 0.043 Uiso 1 1 calc R U . . .
H33B H 0.955403 0.415662 0.591823 0.043 Uiso 1 1 calc R U . . .
C34 C 0.8216(2) 0.2919(2) 0.45580(17) 0.0376(5) Uani 1 1 d . . . . .
H34A H 0.894285 0.299145 0.426729 0.045 Uiso 1 1 calc R U . . .
H34B H 0.739347 0.286635 0.402700 0.045 Uiso 1 1 calc R U . . .
C35 C 0.7898(3) 0.1748(2) 0.4916(2) 0.0446(6) Uani 1 1 d . . . . .
H35A H 0.874123 0.176608 0.540045 0.054 Uiso 1 1 calc R U . . .
H35B H 0.755762 0.101457 0.433672 0.054 Uiso 1 1 calc R U . . .
C36 C 0.6825(3) 0.1644(2) 0.54181(18) 0.0409(5) Uani 1 1 d . . . . .
H36A H 0.665255 0.088750 0.565690 0.049 Uiso 1 1 calc R U . . .
H36B H 0.596153 0.155978 0.491582 0.049 Uiso 1 1 calc R U . . .
B1 B 0.6078(2) 0.24999(18) 0.67598(17) 0.0269(4) Uani 1 1 d D . . . .
C1S C 1.1027(5) 1.0105(3) 0.7638(3) 0.0673(14) Uani 0.7 1 d DG . P B 1
C2S C 1.0949(5) 1.0135(4) 0.8589(3) 0.0812(17) Uani 0.7 1 d DG . P B 1
H2S H 1.102834 0.949998 0.887582 0.097 Uiso 0.7 1 calc R U P B 1
C3S C 1.0752(5) 1.1115(4) 0.9111(3) 0.095(2) Uani 0.7 1 d G . P B 1
H3S H 1.069966 1.113529 0.974738 0.114 Uiso 0.7 1 calc R U P B 1
C4S C 1.0633(5) 1.2065(4) 0.8682(4) 0.096(2) Uani 0.7 1 d G . P B 1
H4S H 1.050094 1.272053 0.903126 0.116 Uiso 0.7 1 calc R U P B 1
C5S C 1.0711(5) 1.2035(3) 0.7731(4) 0.088(2) Uani 0.7 1 d G . P B 1
H5S H 1.063090 1.267048 0.744358 0.105 Uiso 0.7 1 calc R U P B 1
C6S C 1.0907(4) 1.1055(3) 0.7208(3) 0.0720(15) Uani 0.7 1 d DG . P B 1
H6S H 1.095959 1.103518 0.657200 0.086 Uiso 0.7 1 calc R U P B 1
C7S C 1.1210(6) 0.9086(4) 0.7090(4) 0.0791(16) Uani 0.7 1 d D . P B 1
H7S1 H 1.127432 0.922026 0.648191 0.095 Uiso 0.7 1 calc R U P B 1
H7S2 H 1.047035 0.835784 0.696724 0.095 Uiso 0.7 1 calc R U P B 1
H7S3 H 1.200455 0.901920 0.746444 0.095 Uiso 0.7 1 calc R U P B 1
C1T C 1.1170(14) 1.0785(11) 0.7317(7) 0.0504(15) Uiso 0.2 1 d DG U P C 2
C2T C 1.1247(17) 0.9875(12) 0.7807(8) 0.0504(15) Uiso 0.2 1 d DG U P C 2
H2T H 1.148498 0.924263 0.754217 0.061 Uiso 0.2 1 calc R U P C 2
C3T C 1.0968(18) 0.9909(13) 0.8694(9) 0.0504(15) Uiso 0.2 1 d G U P C 2
H3T H 1.101904 0.930033 0.902238 0.061 Uiso 0.2 1 calc R U P C 2
C4T C 1.0612(17) 1.0854(14) 0.9090(9) 0.0504(15) Uiso 0.2 1 d G U P C 2
H4T H 1.042507 1.087684 0.968365 0.061 Uiso 0.2 1 calc R U P C 2
C5T C 1.0535(18) 1.1764(12) 0.8600(9) 0.0504(15) Uiso 0.2 1 d G U P C 2
H5T H 1.029703 1.239566 0.886471 0.061 Uiso 0.2 1 calc R U P C 2
C6T C 1.0814(17) 1.1729(10) 0.7713(9) 0.0504(15) Uiso 0.2 1 d DG U P C 2
H6T H 1.076297 1.233799 0.738450 0.061 Uiso 0.2 1 calc R U P C 2
C7T C 1.0868(14) 1.0448(11) 0.6215(7) 0.0504(15) Uiso 0.2 1 d D U P C 2
H7T1 H 1.084213 1.112597 0.597243 0.061 Uiso 0.2 1 calc R U P C 2
H7T2 H 1.154270 1.021506 0.607994 0.061 Uiso 0.2 1 calc R U P C 2
H7T3 H 1.002856 0.979229 0.590376 0.061 Uiso 0.2 1 calc R U P C 2
C1U C 1.105(2) 1.0937(18) 0.8974(13) 0.0504(15) Uiso 0.1 1 d DG U P D 3
C2U C 1.083(3) 1.1830(18) 0.8505(16) 0.0504(15) Uiso 0.1 1 d DG U P D 3
H2U H 1.073753 1.250899 0.885599 0.061 Uiso 0.1 1 calc R U P D 3
C3U C 1.075(3) 1.171(2) 0.7511(16) 0.0504(15) Uiso 0.1 1 d G U P D 3
H3U H 1.060761 1.230778 0.719682 0.061 Uiso 0.1 1 calc R U P D 3
C4U C 1.089(3) 1.070(2) 0.6986(13) 0.0504(15) Uiso 0.1 1 d G U P D 3
H4U H 1.084161 1.061491 0.632047 0.061 Uiso 0.1 1 calc R U P D 3
C5U C 1.111(3) 0.980(2) 0.7455(16) 0.0504(15) Uiso 0.1 1 d G U P D 3
H5U H 1.120553 0.912324 0.710329 0.061 Uiso 0.1 1 calc R U P D 3
C6U C 1.119(3) 0.992(2) 0.8449(16) 0.0504(15) Uiso 0.1 1 d DG U P D 3
H6U H 1.133545 0.932443 0.876247 0.061 Uiso 0.1 1 calc R U P D 3
C7U C 1.070(3) 1.086(2) 0.9884(14) 0.0504(15) Uiso 0.1 1 d D U P D 3
H7U1 H 1.089303 1.022324 1.011698 0.061 Uiso 0.1 1 calc R U P D 3
H7U2 H 1.120021 1.160315 1.037692 0.061 Uiso 0.1 1 calc R U P D 3
H7U3 H 0.977212 1.069125 0.973168 0.061 Uiso 0.1 1 calc R U P D 3
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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
S S 0.3331 0.5567 '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'
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
O1 Ag1 P1 141.13(4) . . ?
O1 Ag1 O2 88.27(5) . 2_767 ?
P1 Ag1 O2 129.62(4) . 2_767 ?
O3 S1 O2 116.67(11) . . ?
O3 S1 O1 114.70(10) . . ?
O2 S1 O1 113.46(10) . . ?
O3 S1 C10 104.05(11) . . ?
O2 S1 C10 102.64(9) . . ?
O1 S1 C10 102.88(10) . . ?
C1 P1 C11 104.03(9) . . ?
C1 P1 C14 105.74(9) . . ?
C11 P1 C14 107.80(9) . . ?
C1 P1 Ag1 115.31(7) . . ?
C11 P1 Ag1 110.45(7) . . ?
C14 P1 Ag1 112.87(7) . . ?
S1 O1 Ag1 120.01(9) . . ?
S1 O2 Ag1 129.78(9) . 2_767 ?
C6 C1 C2 120.38(18) . . ?
C6 C1 P1 120.91(16) . . ?
C2 C1 P1 118.63(15) . . ?
C3 C2 C1 116.71(19) . . ?
C3 C2 B1 116.38(18) . . ?
C1 C2 B1 126.87(17) . . ?
C4 C3 C2 122.7(2) . . ?
C5 C4 C3 119.8(2) . . ?
C4 C5 C6 119.6(2) . . ?
C5 C6 C1 120.8(2) . . ?
F1 C10 F2 108.6(2) . . ?
F1 C10 F3 107.37(18) . . ?
F2 C10 F3 107.53(18) . . ?
F1 C10 S1 111.66(16) . . ?
F2 C10 S1 110.37(14) . . ?
F3 C10 S1 111.17(16) . . ?
C13 C11 C12 111.21(18) . . ?
C13 C11 P1 111.55(15) . . ?
C12 C11 P1 108.91(14) . . ?
C15 C14 C16 111.15(18) . . ?
C15 C14 P1 113.74(15) . . ?
C16 C14 P1 111.97(15) . . ?
C26A C21A C22A 106.9(8) . . ?
C26A C21A B1 115.9(7) . . ?
C22A C21A B1 116.6(5) . . ?
C23A C22A C21A 111.9(7) . . ?
C24A C23A C22A 110.8(8) . . ?
C23A C24A C25A 110.2(7) . . ?
C24A C25A C26A 109.4(9) . . ?
C25A C26A C21A 114.9(10) . . ?
C26B C21B C22B 112.6(8) . . ?
C26B C21B B1 116.1(7) . . ?
C22B C21B B1 113.2(6) . . ?
C23B C22B C21B 110.5(8) . . ?
C22B C23B C24B 112.0(9) . . ?
C25B C24B C23B 110.7(8) . . ?
C24B C25B C26B 112.6(8) . . ?
C25B C26B C21B 109.3(11) . . ?
C32 C31 C36 108.89(17) . . ?
C32 C31 B1 117.12(16) . . ?
C36 C31 B1 105.34(16) . . ?
C33 C32 C31 112.46(17) . . ?
C34 C33 C32 112.14(17) . . ?
C33 C34 C35 110.47(18) . . ?
C34 C35 C36 110.8(2) . . ?
C35 C36 C31 112.25(18) . . ?
C2 B1 C31 120.24(17) . . ?
C2 B1 C21B 113.5(4) . . ?
C31 B1 C21B 121.8(4) . . ?
C2 B1 C21A 120.8(3) . . ?
C31 B1 C21A 118.7(3) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S C7S 120.17(16) . . ?
C6S C1S C7S 119.82(16) . . ?
C1S C2S C3S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C2T C1T C6T 120.0 . . ?
C2T C1T C7T 117.3(3) . . ?
C6T C1T C7T 117.4(3) . . ?
C1T C2T C3T 120.0 . . ?
C4T C3T C2T 120.0 . . ?
C5T C4T C3T 120.0 . . ?
C6T C5T C4T 120.0 . . ?
C5T C6T C1T 120.0 . . ?
C2U C1U C6U 120.0 . . ?
C2U C1U C7U 118.6(3) . . ?
C6U C1U C7U 118.5(3) . . ?
C1U C2U C3U 120.0 . . ?
C2U C3U C4U 120.0 . . ?
C5U C4U C3U 120.0 . . ?
C4U C5U C6U 120.0 . . ?
C5U C6U C1U 120.0 . . ?
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 O1 2.3005(14) . ?
Ag1 P1 2.3571(5) . ?
Ag1 O2 2.3808(15) 2_767 ?
S1 O3 1.4305(17) . ?
S1 O2 1.4496(16) . ?
S1 O1 1.4526(16) . ?
S1 C10 1.832(2) . ?
P1 C1 1.825(2) . ?
P1 C11 1.844(2) . ?
P1 C14 1.855(2) . ?
F1 C10 1.325(3) . ?
F2 C10 1.331(3) . ?
F3 C10 1.335(3) . ?
C1 C6 1.404(3) . ?
C1 C2 1.407(3) . ?
C2 C3 1.403(3) . ?
C2 B1 1.585(3) . ?
C3 C4 1.381(4) . ?
C4 C5 1.377(4) . ?
C5 C6 1.384(3) . ?
C11 C13 1.526(3) . ?
C11 C12 1.529(3) . ?
C14 C15 1.530(3) . ?
C14 C16 1.531(3) . ?
C21A C26A 1.532(11) . ?
C21A C22A 1.547(7) . ?
C21A B1 1.593(7) . ?
C22A C23A 1.539(10) . ?
C23A C24A 1.520(11) . ?
C24A C25A 1.523(7) . ?
C25A C26A 1.524(11) . ?
C21B C26B 1.533(11) . ?
C21B C22B 1.537(9) . ?
C21B B1 1.588(9) . ?
C22B C23B 1.516(11) . ?
C23B C24B 1.527(10) . ?
C24B C25B 1.523(9) . ?
C25B C26B 1.530(11) . ?
C31 C32 1.535(3) . ?
C31 C36 1.550(3) . ?
C31 B1 1.587(3) . ?
C32 C33 1.534(3) . ?
C33 C34 1.520(3) . ?
C34 C35 1.524(3) . ?
C35 C36 1.532(3) . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S C7S 1.436(3) . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C1T C2T 1.3900 . ?
C1T C6T 1.3900 . ?
C1T C7T 1.484(3) . ?
C2T C3T 1.3900 . ?
C3T C4T 1.3900 . ?
C4T C5T 1.3900 . ?
C5T C6T 1.3900 . ?
C1U C2U 1.3900 . ?
C1U C6U 1.3900 . ?
C1U C7U 1.474(4) . ?
C2U C3U 1.3900 . ?
C3U C4U 1.3900 . ?
C4U C5U 1.3900 . ?
C5U C6U 1.3900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Ag1 P1 C1 94.50(9) . . . . ?
O2 Ag1 P1 C1 -100.79(9) 2_767 . . . ?
O1 Ag1 P1 C11 -147.95(9) . . . . ?
O2 Ag1 P1 C11 16.76(9) 2_767 . . . ?
O1 Ag1 P1 C14 -27.19(10) . . . . ?
O2 Ag1 P1 C14 137.52(9) 2_767 . . . ?
O3 S1 O1 Ag1 0.15(14) . . . . ?
O2 S1 O1 Ag1 137.75(10) . . . . ?
C10 S1 O1 Ag1 -112.14(11) . . . . ?
P1 Ag1 O1 S1 80.90(12) . . . . ?
O2 Ag1 O1 S1 -87.37(11) 2_767 . . . ?
O3 S1 O2 Ag1 63.20(16) . . . 2_767 ?
O1 S1 O2 Ag1 -73.52(15) . . . 2_767 ?
C10 S1 O2 Ag1 176.22(12) . . . 2_767 ?
C11 P1 C1 C6 43.38(19) . . . . ?
C14 P1 C1 C6 -70.07(19) . . . . ?
Ag1 P1 C1 C6 164.48(15) . . . . ?
C11 P1 C1 C2 -133.46(15) . . . . ?
C14 P1 C1 C2 113.10(16) . . . . ?
Ag1 P1 C1 C2 -12.35(17) . . . . ?
C6 C1 C2 C3 0.0(3) . . . . ?
P1 C1 C2 C3 176.85(15) . . . . ?
C6 C1 C2 B1 -177.77(19) . . . . ?
P1 C1 C2 B1 -0.9(3) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
B1 C2 C3 C4 178.6(2) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C4 C5 C6 C1 1.1(4) . . . . ?
C2 C1 C6 C5 -0.8(3) . . . . ?
P1 C1 C6 C5 -177.60(18) . . . . ?
O3 S1 C10 F1 67.57(19) . . . . ?
O2 S1 C10 F1 -54.46(19) . . . . ?
O1 S1 C10 F1 -172.49(17) . . . . ?
O3 S1 C10 F2 -53.32(19) . . . . ?
O2 S1 C10 F2 -175.35(16) . . . . ?
O1 S1 C10 F2 66.62(18) . . . . ?
O3 S1 C10 F3 -172.55(15) . . . . ?
O2 S1 C10 F3 65.42(17) . . . . ?
O1 S1 C10 F3 -52.61(17) . . . . ?
C1 P1 C11 C13 -177.79(16) . . . . ?
C14 P1 C11 C13 -65.83(18) . . . . ?
Ag1 P1 C11 C13 57.91(17) . . . . ?
C1 P1 C11 C12 59.09(17) . . . . ?
C14 P1 C11 C12 171.05(15) . . . . ?
Ag1 P1 C11 C12 -65.21(15) . . . . ?
C1 P1 C14 C15 73.64(18) . . . . ?
C11 P1 C14 C15 -37.16(19) . . . . ?
Ag1 P1 C14 C15 -159.41(15) . . . . ?
C1 P1 C14 C16 -159.32(15) . . . . ?
C11 P1 C14 C16 89.89(17) . . . . ?
Ag1 P1 C14 C16 -32.37(17) . . . . ?
C26A C21A C22A C23A -54.7(11) . . . . ?
B1 C21A C22A C23A 173.6(7) . . . . ?
C21A C22A C23A C24A 58.6(13) . . . . ?
C22A C23A C24A C25A -58.4(13) . . . . ?
C23A C24A C25A C26A 56.6(12) . . . . ?
C24A C25A C26A C21A -57.6(16) . . . . ?
C22A C21A C26A C25A 55.5(15) . . . . ?
B1 C21A C26A C25A -172.4(9) . . . . ?
C26B C21B C22B C23B 55.4(12) . . . . ?
B1 C21B C22B C23B -170.3(8) . . . . ?
C21B C22B C23B C24B -54.9(15) . . . . ?
C22B C23B C24B C25B 55.3(15) . . . . ?
C23B C24B C25B C26B -55.8(14) . . . . ?
C24B C25B C26B C21B 55.3(15) . . . . ?
C22B C21B C26B C25B -55.0(14) . . . . ?
B1 C21B C26B C25B 172.2(8) . . . . ?
C36 C31 C32 C33 -53.6(2) . . . . ?
B1 C31 C32 C33 -172.94(18) . . . . ?
C31 C32 C33 C34 55.2(3) . . . . ?
C32 C33 C34 C35 -55.4(3) . . . . ?
C33 C34 C35 C36 56.4(3) . . . . ?
C34 C35 C36 C31 -57.6(3) . . . . ?
C32 C31 C36 C35 55.3(3) . . . . ?
B1 C31 C36 C35 -178.3(2) . . . . ?
C3 C2 B1 C31 90.4(2) . . . . ?
C1 C2 B1 C31 -91.9(2) . . . . ?
C3 C2 B1 C21B -66.6(4) . . . . ?
C1 C2 B1 C21B 111.2(4) . . . . ?
C3 C2 B1 C21A -83.1(4) . . . . ?
C1 C2 B1 C21A 94.7(4) . . . . ?
C32 C31 B1 C2 40.0(3) . . . . ?
C36 C31 B1 C2 -81.2(2) . . . . ?
C32 C31 B1 C21B -165.0(4) . . . . ?
C36 C31 B1 C21B 73.8(4) . . . . ?
C32 C31 B1 C21A -146.4(3) . . . . ?
C36 C31 B1 C21A 92.4(3) . . . . ?
C26B C21B B1 C2 -39.6(10) . . . . ?
C22B C21B B1 C2 -172.2(5) . . . . ?
C26B C21B B1 C31 163.8(8) . . . . ?
C22B C21B B1 C31 31.3(8) . . . . ?
C26A C21A B1 C2 2.9(10) . . . . ?
C22A C21A B1 C2 130.2(5) . . . . ?
C26A C21A B1 C31 -170.7(9) . . . . ?
C22A C21A B1 C31 -43.4(6) . . . . ?
C6S C1S C2S C3S 0.0 . . . . ?
C7S C1S C2S C3S -179.1(4) . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C7S C1S C6S C5S 179.1(4) . . . . ?
C6T C1T C2T C3T 0.0 . . . . ?
C7T C1T C2T C3T -153.6(11) . . . . ?
C1T C2T C3T C4T 0.0 . . . . ?
C2T C3T C4T C5T 0.0 . . . . ?
C3T C4T C5T C6T 0.0 . . . . ?
C4T C5T C6T C1T 0.0 . . . . ?
C2T C1T C6T C5T 0.0 . . . . ?
C7T C1T C6T C5T 153.5(11) . . . . ?
C6U C1U C2U C3U 0.0 . . . . ?
C7U C1U C2U C3U -160.6(19) . . . . ?
C1U C2U C3U C4U 0.0 . . . . ?
C2U C3U C4U C5U 0.0 . . . . ?
C3U C4U C5U C6U 0.0 . . . . ?
C4U C5U C6U C1U 0.0 . . . . ?
C2U C1U C6U C5U 0.0 . . . . ?
C7U C1U C6U C5U 160.6(18) . . . . ?
