#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:45:10 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293118 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/56/7715681.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_7715681
loop_
_publ_author_name
'Ghosh, Moushakhi'
'Parvin, Nasrina'
'Panwaria, Prakash'
'Tothadi, Srinu'
'Bakthavatsalam, Rangarajan'
'Therambram, Arshad'
'Khan, Shabana'
_publ_section_title
;
 Diverse structural reactivity patterns of a POCOP ligand with coinage
 metals.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7763
_journal_page_last               7774
_journal_paper_doi               10.1039/d3dt03921h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C76 H80 Ag4 Br4 O4 P4, C H2 Cl2'
_chemical_formula_sum            'C77 H82 Ag4 Br4 Cl2 O4 P4'
_chemical_formula_weight         2017.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-03-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2023-02-26 deposited with the CCDC.	2024-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.5650(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1275(5)
_cell_length_b                   24.4987(8)
_cell_length_c                   21.1870(9)
_cell_measurement_reflns_used    9666
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.60
_cell_volume                     8064.0(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            174464
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.370
_diffrn_reflns_theta_min         1.996
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.130
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1059 before and 0.0362 after correction. The Ratio of minimum to maximum transmission is 0.6938. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_description       needle
_exptl_crystal_F_000             3992
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       0.000260(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         10039
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0256P)²+9.5464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0588
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8082
_reflns_number_total             10039
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03921h2.cif
_cod_data_source_block           a1_a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7715672--7715682.cif.'
_cod_database_code               7715681
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H1A(0.5) H1B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
3.b Aromatic/amide H refined with riding coordinates:
 C26(H26), C0AA(H0AA), C24(H24), C22(H22), C25(H25), C4(H4), C16(H16),
 C20(H20), C23(H23), C34(H34), C38(H38), C28(H28), C36(H36), C17(H17), C35(H35),
  C37(H37), C32(H32), C18(H18), C19(H19), C29(H29), C30(H30), C31(H31)
3.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C10(H10A,H10B,H10C), C14(H14A,H14B,
 H14C), C12(H12A,H12B,H12C), C8(H8A,H8B,H8C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.46640(2) 0.43593(2) 0.32665(2) 0.02689(5) Uani 1 1 d . . . . .
Ag2 Ag 0.37829(2) 0.52089(2) 0.22608(2) 0.02786(5) Uani 1 1 d . . . . .
Br1 Br 0.61709(2) 0.40982(2) 0.30528(2) 0.02285(6) Uani 1 1 d . . . . .
Br2 Br 0.49239(2) 0.54735(2) 0.15933(2) 0.02430(6) Uani 1 1 d . . . . .
P2 P 0.23777(3) 0.55271(2) 0.22594(3) 0.01852(12) Uani 1 1 d . . . . .
P1 P 0.38247(4) 0.40684(2) 0.39807(3) 0.01885(12) Uani 1 1 d . . . . .
O2 O 0.29601(9) 0.37065(6) 0.36486(7) 0.0220(3) Uani 1 1 d . . . . .
O1 O 0.15865(9) 0.50836(6) 0.20890(8) 0.0217(3) Uani 1 1 d . . . . .
C21 C 0.34324(14) 0.45709(9) 0.44543(10) 0.0205(4) Uani 1 1 d . . . . .
C26 C 0.38963(15) 0.50504(10) 0.46374(11) 0.0263(5) Uani 1 1 d . . . . .
H26 H 0.438020 0.512144 0.449121 0.032 Uiso 1 1 calc R . . . .
C0AA C 0.22672(13) 0.43985(8) 0.28741(11) 0.0180(4) Uani 1 1 d . . . . .
H0AA H 0.261150 0.466516 0.312855 0.022 Uiso 1 1 calc R . . . .
C6 C 0.16697(13) 0.45413(8) 0.22979(11) 0.0170(4) Uani 1 1 d . . . . .
C2 C 0.23527(13) 0.38586(9) 0.30717(10) 0.0176(4) Uani 1 1 d . . . . .
C33 C 0.19275(14) 0.60140(8) 0.16124(11) 0.0200(4) Uani 1 1 d . . . . .
C15 C 0.43783(14) 0.35684(9) 0.45787(11) 0.0225(5) Uani 1 1 d . . . . .
C24 C 0.29072(16) 0.53290(11) 0.52394(12) 0.0333(6) Uani 1 1 d . . . . .
H24 H 0.273926 0.557845 0.551210 0.040 Uiso 1 1 calc R . . . .
C27 C 0.22282(14) 0.58556(9) 0.29894(11) 0.0211(5) Uani 1 1 d . . . . .
C22 C 0.26842(15) 0.44836(10) 0.46456(12) 0.0277(5) Uani 1 1 d . . . . .
H22 H 0.235935 0.417015 0.451153 0.033 Uiso 1 1 calc R . . . .
C5 C 0.11113(13) 0.41597(8) 0.19204(10) 0.0175(4) Uani 1 1 d . . . . .
C25 C 0.36357(17) 0.54213(11) 0.50377(13) 0.0336(6) Uani 1 1 d . . . . .
H25 H 0.395699 0.573613 0.517143 0.040 Uiso 1 1 calc R . . . .
C4 C 0.12183(14) 0.36243(9) 0.21528(11) 0.0222(5) Uani 1 1 d . . . . .
H4 H 0.084929 0.336167 0.191237 0.027 Uiso 1 1 calc R . . . .
C3 C 0.18302(13) 0.34492(9) 0.27138(11) 0.0200(4) Uani 1 1 d . . . . .
C16 C 0.42957(15) 0.35397(11) 0.52150(12) 0.0311(6) Uani 1 1 d . . . . .
H16 H 0.394344 0.378643 0.535418 0.037 Uiso 1 1 calc R . . . .
C20 C 0.49260(15) 0.32047(10) 0.43842(13) 0.0305(5) Uani 1 1 d . . . . .
H20 H 0.500048 0.322833 0.396474 0.037 Uiso 1 1 calc R . . . .
C23 C 0.24229(16) 0.48631(11) 0.50354(13) 0.0329(6) Uani 1 1 d . . . . .
H23 H 0.192001 0.480534 0.516128 0.039 Uiso 1 1 calc R . . . .
C7 C 0.04175(14) 0.43125(9) 0.12926(11) 0.0222(5) Uani 1 1 d . . . . .
C34 C 0.24071(15) 0.61544(9) 0.11842(11) 0.0243(5) Uani 1 1 d . . . . .
H34 H 0.294806 0.600081 0.123328 0.029 Uiso 1 1 calc R . . . .
C38 C 0.11179(15) 0.62465(10) 0.15351(12) 0.0272(5) Uani 1 1 d . . . . .
H38 H 0.079470 0.615729 0.182383 0.033 Uiso 1 1 calc R . . . .
C28 C 0.15028(16) 0.57658(10) 0.32067(13) 0.0303(5) Uani 1 1 d . . . . .
H28 H 0.107775 0.552788 0.297887 0.036 Uiso 1 1 calc R . . . .
C36 C 0.12800(16) 0.67475(10) 0.06035(12) 0.0294(5) Uani 1 1 d . . . . .
H36 H 0.106090 0.699213 0.026409 0.035 Uiso 1 1 calc R . . . .
C17 C 0.47394(18) 0.31425(12) 0.56427(14) 0.0409(7) Uani 1 1 d . . . . .
H17 H 0.468324 0.312438 0.606777 0.049 Uiso 1 1 calc R . . . .
C11 C 0.19274(15) 0.28437(9) 0.29127(12) 0.0273(5) Uani 1 1 d . . . . .
C35 C 0.20813(16) 0.65252(10) 0.06797(12) 0.0281(5) Uani 1 1 d . . . . .
H35 H 0.240686 0.662181 0.039514 0.034 Uiso 1 1 calc R . . . .
C37 C 0.07948(16) 0.66094(10) 0.10299(13) 0.0323(6) Uani 1 1 d . . . . .
H37 H 0.025160 0.676121 0.097582 0.039 Uiso 1 1 calc R . . . .
C32 C 0.28629(16) 0.62069(11) 0.33400(13) 0.0349(6) Uani 1 1 d . . . . .
H32 H 0.336185 0.626215 0.320798 0.042 Uiso 1 1 calc R . . . .
C9 C -0.02060(15) 0.47285(11) 0.14529(13) 0.0322(6) Uani 1 1 d . . . . .
H9A H -0.045477 0.457985 0.177947 0.048 Uiso 1 1 calc GR . . . .
H9B H -0.065407 0.480884 0.106348 0.048 Uiso 1 1 calc GR . . . .
H9C H 0.010037 0.505755 0.161598 0.048 Uiso 1 1 calc GR . . . .
C18 C 0.52586(18) 0.27779(11) 0.54409(14) 0.0418(7) Uani 1 1 d . . . . .
H18 H 0.554404 0.250886 0.572745 0.050 Uiso 1 1 calc R . . . .
C19 C 0.53624(17) 0.28062(11) 0.48147(15) 0.0395(7) Uani 1 1 d . . . . .
H19 H 0.572170 0.256032 0.468215 0.047 Uiso 1 1 calc R . . . .
C29 C 0.14078(18) 0.60278(11) 0.37600(14) 0.0378(6) Uani 1 1 d . . . . .
H29 H 0.092336 0.596151 0.390722 0.045 Uiso 1 1 calc R . . . .
C30 C 0.20268(19) 0.63865(12) 0.40943(14) 0.0418(7) Uani 1 1 d . . . . .
H30 H 0.195580 0.656929 0.446090 0.050 Uiso 1 1 calc R . . . .
C13 C 0.28285(16) 0.26426(10) 0.29268(14) 0.0348(6) Uani 1 1 d . . . . .
H13A H 0.293730 0.271114 0.251011 0.052 Uiso 1 1 calc GR . . . .
H13B H 0.286794 0.225782 0.301569 0.052 Uiso 1 1 calc GR . . . .
H13C H 0.324661 0.283234 0.326351 0.052 Uiso 1 1 calc GR . . . .
C10 C 0.08361(18) 0.45509(13) 0.07851(13) 0.0389(6) Uani 1 1 d . . . . .
H10A H 0.112234 0.488609 0.094842 0.058 Uiso 1 1 calc GR . . . .
H10B H 0.040116 0.462043 0.038463 0.058 Uiso 1 1 calc GR . . . .
H10C H 0.124724 0.429559 0.070400 0.058 Uiso 1 1 calc GR . . . .
C14 C 0.17541(19) 0.27642(11) 0.35803(15) 0.0414(7) Uani 1 1 d . . . . .
H14A H 0.216374 0.297120 0.390429 0.062 Uiso 1 1 calc GR . . . .
H14B H 0.180692 0.238432 0.369534 0.062 Uiso 1 1 calc GR . . . .
H14C H 0.118259 0.288700 0.356110 0.062 Uiso 1 1 calc GR . . . .
C31 C 0.27499(19) 0.64731(13) 0.38837(15) 0.0469(7) Uani 1 1 d . . . . .
H31 H 0.316930 0.671462 0.411107 0.056 Uiso 1 1 calc R . . . .
C12 C 0.1290(2) 0.24840(10) 0.24168(18) 0.0518(9) Uani 1 1 d . . . . .
H12A H 0.071254 0.259610 0.239342 0.078 Uiso 1 1 calc GR . . . .
H12B H 0.136705 0.210963 0.255384 0.078 Uiso 1 1 calc GR . . . .
H12C H 0.139328 0.252141 0.199315 0.078 Uiso 1 1 calc GR . . . .
C8 C -0.01210(19) 0.38190(11) 0.09852(15) 0.0455(8) Uani 1 1 d . . . . .
H8A H 0.024568 0.354985 0.086989 0.068 Uiso 1 1 calc GR . . . .
H8B H -0.055054 0.393161 0.059893 0.068 Uiso 1 1 calc GR . . . .
H8C H -0.039629 0.366548 0.129375 0.068 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.06650(7) 0.73667(5) 0.31185(6) 0.0850(4) Uani 1 1 d . . . . .
C1 C 0.000000 0.77660(19) 0.250000 0.0556(12) Uani 1 2 d S T P . .
H1A H -0.035510 0.799898 0.269052 0.067 Uiso 0.5 1 calc R . . . .
H1B H 0.035510 0.799900 0.230949 0.067 Uiso 0.5 1 calc R . . . .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
Br1 Ag1 Ag2 108.697(8) . . ?
Br1 Ag1 Ag2 56.930(7) 2_655 . ?
Br1 Ag1 Br1 89.529(9) . 2_655 ?
Br1 Ag1 Br2 92.894(9) . 2_655 ?
Br2 Ag1 Ag2 57.437(7) 2_655 . ?
Br2 Ag1 Br1 111.133(9) 2_655 2_655 ?
P1 Ag1 Ag2 114.152(15) . . ?
P1 Ag1 Br1 110.926(16) . 2_655 ?
P1 Ag1 Br1 137.033(16) . . ?
P1 Ag1 Br2 112.380(16) . 2_655 ?
Br1 Ag2 Ag1 57.709(7) 2_655 . ?
Br1 Ag2 Br2 111.489(9) 2_655 2_655 ?
Br2 Ag2 Ag1 106.066(8) . . ?
Br2 Ag2 Ag1 57.037(7) 2_655 . ?
Br2 Ag2 Br1 92.519(9) . 2_655 ?
Br2 Ag2 Br2 86.837(10) . 2_655 ?
P2 Ag2 Ag1 119.148(15) . . ?
P2 Ag2 Br1 113.600(15) . 2_655 ?
P2 Ag2 Br2 114.031(16) . 2_655 ?
P2 Ag2 Br2 134.653(16) . . ?
Ag1 Br1 Ag1 84.254(8) . 2_655 ?
Ag1 Br1 Ag2 83.744(8) . 2_655 ?
Ag2 Br1 Ag1 65.363(7) 2_655 2_655 ?
Ag1 Br2 Ag2 65.525(7) 2_655 2_655 ?
Ag2 Br2 Ag1 83.435(8) . 2_655 ?
Ag2 Br2 Ag2 86.794(9) . 2_655 ?
O1 P2 Ag2 117.67(6) . . ?
O1 P2 C33 98.00(9) . . ?
O1 P2 C27 101.99(9) . . ?
C33 P2 Ag2 113.66(7) . . ?
C33 P2 C27 103.55(10) . . ?
C27 P2 Ag2 119.00(7) . . ?
O2 P1 Ag1 116.67(6) . . ?
O2 P1 C21 102.83(9) . . ?
O2 P1 C15 97.86(9) . . ?
C21 P1 Ag1 119.34(8) . . ?
C21 P1 C15 104.61(10) . . ?
C15 P1 Ag1 112.74(8) . . ?
C2 O2 P1 123.12(13) . . ?
C6 O1 P2 123.91(13) . . ?
C26 C21 P1 119.22(17) . . ?
C22 C21 P1 121.22(18) . . ?
C22 C21 C26 119.6(2) . . ?
C21 C26 H26 120.1 . . ?
C25 C26 C21 119.8(2) . . ?
C25 C26 H26 120.1 . . ?
C6 C0AA H0AA 120.0 . . ?
C6 C0AA C2 119.91(19) . . ?
C2 C0AA H0AA 120.0 . . ?
C0AA C6 O1 120.40(19) . . ?
C0AA C6 C5 121.86(19) . . ?
C5 C6 O1 117.70(18) . . ?
C0AA C2 O2 120.64(19) . . ?
C0AA C2 C3 121.75(19) . . ?
C3 C2 O2 117.60(18) . . ?
C34 C33 P2 118.53(17) . . ?
C34 C33 C38 119.5(2) . . ?
C38 C33 P2 121.99(18) . . ?
C16 C15 P1 123.59(19) . . ?
C16 C15 C20 119.2(2) . . ?
C20 C15 P1 117.22(18) . . ?
C25 C24 H24 120.1 . . ?
C25 C24 C23 119.8(2) . . ?
C23 C24 H24 120.1 . . ?
C28 C27 P2 121.98(18) . . ?
C28 C27 C32 119.2(2) . . ?
C32 C27 P2 118.85(18) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(2) . . ?
C23 C22 H22 120.0 . . ?
C6 C5 C4 115.40(19) . . ?
C6 C5 C7 122.82(18) . . ?
C4 C5 C7 121.78(19) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 C26 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C5 C4 H4 117.2 . . ?
C3 C4 C5 125.6(2) . . ?
C3 C4 H4 117.2 . . ?
C2 C3 C11 122.8(2) . . ?
C4 C3 C2 115.36(19) . . ?
C4 C3 C11 121.8(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C20 H20 119.9 . . ?
C19 C20 C15 120.3(3) . . ?
C19 C20 H20 119.9 . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.2(2) . . ?
C22 C23 H23 119.9 . . ?
C9 C7 C5 109.81(19) . . ?
C10 C7 C5 110.18(19) . . ?
C10 C7 C9 110.0(2) . . ?
C8 C7 C5 111.99(19) . . ?
C8 C7 C9 106.8(2) . . ?
C8 C7 C10 108.0(2) . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.2(2) . . ?
C35 C34 H34 119.9 . . ?
C33 C38 H38 120.0 . . ?
C37 C38 C33 120.1(2) . . ?
C37 C38 H38 120.0 . . ?
C27 C28 H28 119.9 . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 H28 119.9 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.4(2) . . ?
C37 C36 H36 119.8 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C13 C11 C3 110.06(19) . . ?
C13 C11 C12 106.7(2) . . ?
C14 C11 C3 110.3(2) . . ?
C14 C11 C13 110.5(2) . . ?
C14 C11 C12 107.8(2) . . ?
C12 C11 C3 111.5(2) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 C34 119.9(2) . . ?
C36 C35 H35 120.1 . . ?
C38 C37 C36 120.0(2) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C27 C32 H32 120.1 . . ?
C31 C32 C27 119.7(2) . . ?
C31 C32 H32 120.1 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.6(2) . . ?
C19 C18 H18 119.7 . . ?
C20 C19 H19 120.2 . . ?
C18 C19 C20 119.6(3) . . ?
C18 C19 H19 120.2 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.3(3) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.2 . . ?
C31 C30 C29 119.6(3) . . ?
C31 C30 H30 120.2 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C32 C31 H31 119.6 . . ?
C30 C31 C32 120.9(3) . . ?
C30 C31 H31 119.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Cl1 C1 Cl1 112.1(3) 2 . ?
Cl1 C1 H1A 109.2 2 . ?
Cl1 C1 H1A 109.2 . . ?
Cl1 C1 H1B 109.2 . . ?
Cl1 C1 H1B 109.2 2 . ?
H1A C1 H1B 107.9 . . ?
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 Ag2 3.0442(3) . ?
Ag1 Br1 2.6667(3) . ?
Ag1 Br1 2.8312(3) 2_655 ?
Ag1 Br2 2.8063(3) 2_655 ?
Ag1 P1 2.3934(6) . ?
Ag2 Br1 2.8066(3) 2_655 ?
Ag2 Br2 2.8189(3) 2_655 ?
Ag2 Br2 2.6839(3) . ?
Ag2 P2 2.3958(6) . ?
P2 O1 1.6406(15) . ?
P2 C33 1.815(2) . ?
P2 C27 1.816(2) . ?
P1 O2 1.6429(16) . ?
P1 C21 1.806(2) . ?
P1 C15 1.815(2) . ?
O2 C2 1.396(2) . ?
O1 C6 1.395(2) . ?
C21 C26 1.391(3) . ?
C21 C22 1.389(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.383(3) . ?
C0AA H0AA 0.9300 . ?
C0AA C6 1.382(3) . ?
C0AA C2 1.383(3) . ?
C6 C5 1.392(3) . ?
C2 C3 1.396(3) . ?
C33 C34 1.384(3) . ?
C33 C38 1.393(3) . ?
C15 C16 1.392(3) . ?
C15 C20 1.393(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.372(4) . ?
C24 C23 1.385(4) . ?
C27 C28 1.385(3) . ?
C27 C32 1.390(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.382(3) . ?
C5 C4 1.395(3) . ?
C5 C7 1.537(3) . ?
C25 H25 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.393(3) . ?
C3 C11 1.538(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.390(4) . ?
C20 H20 0.9300 . ?
C20 C19 1.391(4) . ?
C23 H23 0.9300 . ?
C7 C9 1.532(3) . ?
C7 C10 1.530(3) . ?
C7 C8 1.529(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.394(3) . ?
C38 H38 0.9300 . ?
C38 C37 1.381(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.381(4) . ?
C36 H36 0.9300 . ?
C36 C35 1.371(3) . ?
C36 C37 1.386(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.369(4) . ?
C11 C13 1.527(3) . ?
C11 C14 1.526(4) . ?
C11 C12 1.535(4) . ?
C35 H35 0.9300 . ?
C37 H37 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.378(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C18 H18 0.9300 . ?
C18 C19 1.383(4) . ?
C19 H19 0.9300 . ?
C29 H29 0.9300 . ?
C29 C30 1.375(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.372(4) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C31 H31 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
Cl1 C1 1.752(3) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
