#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:32:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179484 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/81/4338174.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_4338174
loop_
_publ_author_name
'Dau, Minh Thuy'
'Shakirova, Julia R.'
'Karttunen, Antti J.'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Melnikov, Alexey S.'
'Pakkanen, Tapani A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Coinage metal complexes supported by the tri- and tetraphosphine ligands.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4705
_journal_page_last               4715
_journal_paper_doi               10.1021/ic500402m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
'C64 H62 Ag2 Au O2 P6, 3(F6 P), 2(C4 H10 O), 2(C H2 Cl2)'
_chemical_formula_sum            'C74 H86 Ag2 Au Cl4 F18 O4 P9'
_chemical_formula_weight         2214.66
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                114.2080(10)
_cell_angle_beta                 103.7080(10)
_cell_angle_gamma                106.3090(10)
_cell_formula_units_Z            1
_cell_length_a                   13.4279(2)
_cell_length_b                   13.9089(2)
_cell_length_c                   14.3467(3)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      39.29
_cell_measurement_theta_min      2.92
_cell_volume                     2147.39(7)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53021
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.996
_diffrn_reflns_theta_min         1.700
_exptl_absorpt_coefficient_mu    2.533
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.289
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.107
_refine_diff_density_max         2.355
_refine_diff_density_min         -1.188
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         11384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0335P)²+5.8331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10576
_reflns_number_total             11384
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic500402m_si_003.cif
_cod_data_source_block           3a
_cod_depositor_comments
'Adding full bibliography for 4338172--4338179.cif.'
_cod_database_code               4338174
#BEGIN Tags that were not found in dictionaries:
_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   0.528
_shelx_estimated_absorpt_t_max   0.773
#END Tags that were not found in dictionaries
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
C1 C 0.8386(2) 0.7704(2) 0.4951(2) 0.0181(5) Uani 1 1 d . . . . .
C2 C 0.8730(3) 0.6812(3) 0.4743(3) 0.0245(6) Uani 1 1 d . . . . .
H2 H 0.8189 0.6039 0.4444 0.029 Uiso 1 1 calc R U . . .
C3 C 0.9872(3) 0.7046(3) 0.4971(3) 0.0299(7) Uani 1 1 d . . . . .
H3 H 1.0104 0.6432 0.4820 0.036 Uiso 1 1 calc R U . . .
C4 C 1.0661(3) 0.8170(3) 0.5417(3) 0.0342(8) Uani 1 1 d . . . . .
H4 H 1.1435 0.8328 0.5564 0.041 Uiso 1 1 calc R U . . .
C5 C 1.0326(3) 0.9069(3) 0.5651(4) 0.0399(9) Uani 1 1 d . . . . .
H5 H 1.0872 0.9845 0.5969 0.048 Uiso 1 1 calc R U . . .
C6 C 0.9189(3) 0.8838(3) 0.5420(3) 0.0296(7) Uani 1 1 d . . . . .
H6 H 0.8962 0.9456 0.5582 0.036 Uiso 1 1 calc R U . . .
C7 C 0.6682(2) 0.8438(2) 0.4308(3) 0.0201(6) Uani 1 1 d . . . . .
C8 C 0.6881(3) 0.8398(3) 0.3385(3) 0.0264(6) Uani 1 1 d . . . . .
H8 H 0.7152 0.7862 0.3002 0.032 Uiso 1 1 calc R U . . .
C9 C 0.6683(3) 0.9137(3) 0.3023(3) 0.0359(8) Uani 1 1 d . . . . .
H9 H 0.6811 0.9101 0.2388 0.043 Uiso 1 1 calc R U . . .
C10 C 0.6303(3) 0.9921(3) 0.3583(4) 0.0404(9) Uani 1 1 d . . . . .
H10 H 0.6180 1.0436 0.3341 0.048 Uiso 1 1 calc R U . . .
C11 C 0.6100(3) 0.9967(3) 0.4491(4) 0.0390(9) Uani 1 1 d . . . . .
H11 H 0.5833 1.0510 0.4870 0.047 Uiso 1 1 calc R U . . .
C12 C 0.6283(3) 0.9220(3) 0.4863(3) 0.0284(7) Uani 1 1 d . . . . .
H12 H 0.6135 0.9248 0.5487 0.034 Uiso 1 1 calc R U . . .
C13 C 0.3909(2) 0.6056(2) 0.3369(2) 0.0187(5) Uani 1 1 d . . . . .
C14 C 0.3869(3) 0.6461(3) 0.2622(3) 0.0274(7) Uani 1 1 d . . . . .
H14 H 0.4305 0.6347 0.2187 0.033 Uiso 1 1 calc R U . . .
C15 C 0.3186(3) 0.7032(3) 0.2521(3) 0.0371(8) Uani 1 1 d . . . . .
H15 H 0.3161 0.7317 0.2021 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2544(4) 0.7186(4) 0.3147(4) 0.0424(10) Uani 1 1 d . . . . .
H16 H 0.2075 0.7572 0.3071 0.051 Uiso 1 1 calc R U . . .
C17 C 0.2579(3) 0.6783(4) 0.3881(3) 0.0377(8) Uani 1 1 d . . . . .
H17 H 0.2127 0.6883 0.4301 0.045 Uiso 1 1 calc R U . . .
C18 C 0.3271(3) 0.6231(3) 0.4008(3) 0.0251(6) Uani 1 1 d . . . . .
H18 H 0.3310 0.5973 0.4528 0.030 Uiso 1 1 calc R U . . .
C19 C 0.8216(2) 0.6736(2) 0.7941(2) 0.0193(5) Uani 1 1 d . . . . .
C20 C 0.8762(3) 0.6762(3) 0.7233(3) 0.0260(6) Uani 1 1 d . . . . .
H20 H 0.8546 0.7036 0.6746 0.031 Uiso 1 1 calc R U . . .
C21 C 0.9621(3) 0.6389(3) 0.7235(3) 0.0344(8) Uani 1 1 d . . . . .
H21 H 0.9997 0.6419 0.6757 0.041 Uiso 1 1 calc R U . . .
C22 C 0.9924(3) 0.5978(3) 0.7929(4) 0.0366(8) Uani 1 1 d . . . . .
H22 H 1.0509 0.5721 0.7929 0.044 Uiso 1 1 calc R U . . .
C23 C 0.9378(3) 0.5936(3) 0.8631(3) 0.0321(7) Uani 1 1 d . . . . .
H23 H 0.9585 0.5642 0.9102 0.039 Uiso 1 1 calc R U . . .
C24 C 0.8532(3) 0.6323(3) 0.8648(3) 0.0246(6) Uani 1 1 d . . . . .
H24 H 0.8169 0.6307 0.9139 0.030 Uiso 1 1 calc R U . . .
C25 C 0.7611(2) 0.8482(2) 0.9306(2) 0.0182(5) Uani 1 1 d . . . . .
C26 C 0.8749(3) 0.9073(3) 1.0023(3) 0.0329(8) Uani 1 1 d . . . . .
H26 H 0.9281 0.8809 0.9804 0.040 Uiso 1 1 calc R U . . .
C27 C 0.9110(3) 1.0053(3) 1.1063(3) 0.0407(9) Uani 1 1 d . . . . .
H27 H 0.9891 1.0461 1.1547 0.049 Uiso 1 1 calc R U . . .
C28 C 0.8351(3) 1.0437(3) 1.1398(3) 0.0331(8) Uani 1 1 d . . . . .
H28 H 0.8604 1.1101 1.2113 0.040 Uiso 1 1 calc R U . . .
C29 C 0.7216(3) 0.9855(3) 1.0689(3) 0.0335(8) Uani 1 1 d . . . . .
H29 H 0.6689 1.0122 1.0917 0.040 Uiso 1 1 calc R U . . .
C30 C 0.6843(3) 0.8883(3) 0.9645(3) 0.0296(7) Uani 1 1 d . . . . .
H30 H 0.6062 0.8489 0.9160 0.036 Uiso 1 1 calc R U . . .
C31 C 0.6086(2) 0.6000(2) 0.3479(2) 0.0164(5) Uani 1 1 d . . . . .
H31A H 0.5953 0.6089 0.2816 0.020 Uiso 1 1 calc R U . . .
H31B H 0.6521 0.5525 0.3434 0.020 Uiso 1 1 calc R U . . .
C32 C 0.5928(2) 0.6129(2) 0.7856(2) 0.0163(5) Uani 1 1 d . . . . .
H32A H 0.6208 0.5993 0.8472 0.020 Uiso 1 1 calc R U . . .
H32B H 0.5350 0.6424 0.7968 0.020 Uiso 1 1 calc R U . . .
C33 C 0.8467(4) 0.0662(5) 0.7961(5) 0.0596(13) Uani 1 1 d . . . . .
H33A H 0.9275 0.0898 0.8118 0.089 Uiso 1 1 calc R U . . .
H33B H 0.8092 0.0703 0.7313 0.089 Uiso 1 1 calc R U . . .
H33C H 0.8123 -0.0139 0.7804 0.089 Uiso 1 1 calc R U . . .
C34 C 0.8333(4) 0.1435(5) 0.8922(4) 0.0563(13) Uani 1 1 d . . . . .
H34A H 0.8723 0.1404 0.9580 0.068 Uiso 1 1 calc R U . . .
H34B H 0.8689 0.2246 0.9086 0.068 Uiso 1 1 calc R U . . .
C35 C 0.6993(5) 0.1851(5) 0.9647(4) 0.0587(13) Uani 1 1 d . . . . .
H35A H 0.7307 0.2661 0.9803 0.070 Uiso 1 1 calc R U . . .
H35B H 0.7387 0.1843 1.0319 0.070 Uiso 1 1 calc R U . . .
C36 C 0.5786(5) 0.1429(8) 0.9379(5) 0.096(3) Uani 1 1 d . . . . .
H36A H 0.5656 0.1932 1.0008 0.144 Uiso 1 1 calc R U . . .
H36B H 0.5483 0.0630 0.9234 0.144 Uiso 1 1 calc R U . . .
H36C H 0.5403 0.1441 0.8714 0.144 Uiso 1 1 calc R U . . .
F1 F 0.2713(3) 0.5986(3) 0.7480(2) 0.0587(7) Uani 1 1 d . . . . .
F2 F 0.3166(3) 0.7644(3) 0.6474(3) 0.0629(8) Uani 1 1 d . . . . .
F3 F 0.2315(2) 0.7492(3) 0.7623(3) 0.0587(7) Uani 1 1 d . . . . .
F4 F 0.3532(3) 0.6109(3) 0.6329(3) 0.0617(8) Uani 1 1 d . . . . .
F5 F 0.1769(3) 0.5949(3) 0.5928(3) 0.0741(10) Uani 1 1 d . . . . .
F6 F 0.4094(2) 0.7687(3) 0.8016(3) 0.0786(10) Uani 1 1 d . . . . .
F7 F 0.3867(2) 0.4643(3) 0.0213(2) 0.0648(9) Uani 1 1 d . . . . .
F8 F 0.5490(3) 0.6273(3) 0.1034(2) 0.0754(10) Uani 1 1 d . . . . .
F9 F 0.5567(3) 0.4612(3) 0.0812(3) 0.0706(9) Uani 1 1 d . . . . .
P1 P 0.69209(6) 0.74455(6) 0.47498(6) 0.01479(13) Uani 1 1 d . . . . .
P2 P 0.47309(6) 0.52498(6) 0.34687(6) 0.01397(13) Uani 1 1 d . . . . .
P3 P 0.71118(6) 0.72409(6) 0.79139(6) 0.01550(13) Uani 1 1 d . . . . .
P4 P 0.29302(8) 0.68217(8) 0.69804(8) 0.02660(17) Uani 1 1 d . . . . .
P5 P 0.5000 0.5000 0.0000 0.0499(4) Uani 1 2 d S . P . .
Au1 Au 0.5000 0.5000 0.5000 0.01545(4) Uani 1 2 d S . P . .
O1 O 0.5645(2) 0.8832(2) 0.6944(2) 0.0340(6) Uani 1 1 d . . . . .
H1O1 H 0.5208 0.8435 0.7124 0.051 Uiso 1 1 d R U . B .
H2O1 H 0.6057 0.9505 0.7519 0.051 Uiso 1 1 d R U . . .
O2 O 0.7157(3) 0.1110(3) 0.8721(3) 0.0498(8) Uani 1 1 d . . . . .
C37 C 0.1488(9) 0.3340(11) -0.1938(11) 0.046(2) Uani 0.495(5) 1 d . . P A 1
H37A H 0.2264 0.3977 -0.1531 0.055 Uiso 0.495(5) 1 calc R U P A 1
H37B H 0.1257 0.3070 -0.2743 0.055 Uiso 0.495(5) 1 calc R U P A 1
Cl1 Cl 0.1478(2) 0.2178(2) -0.1722(3) 0.0567(9) Uani 0.495(5) 1 d . . P A 1
Cl2 Cl 0.0568(6) 0.3853(6) -0.1472(7) 0.120(3) Uani 0.495(5) 1 d . . P A 1
Cl21 Cl 0.1357(4) 0.4719(4) -0.0669(3) 0.0680(11) Uani 0.505(5) 1 d . . P A 2
Cl11 Cl 0.0855(5) 0.2441(4) -0.2416(5) 0.125(3) Uani 0.505(5) 1 d . . P A 2
C137 C 0.1627(11) 0.3917(11) -0.1789(10) 0.055(3) Uani 0.505(5) 1 d . . P A 2
H13A H 0.1451 0.4155 -0.2347 0.066 Uiso 0.505(5) 1 calc R U P A 2
H13B H 0.2444 0.4098 -0.1528 0.066 Uiso 0.505(5) 1 calc R U P A 2
Ag1 Ag 0.65549(5) 0.75669(5) 0.63569(3) 0.01140(11) Uani 0.796(3) 1 d . . P B 3
Ag11 Ag 0.67817(18) 0.73914(16) 0.63392(13) 0.01140(11) Uani 0.204(3) 1 d . . P
B 4
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'
F F 0.0171 0.0103 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C6 119.5(3) . .
C2 C1 P1 121.3(2) . .
C6 C1 P1 118.9(2) . .
C1 C2 C3 120.2(3) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 119.9(3) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.1(3) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.1(3) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C1 C6 C5 120.1(3) . .
C1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C12 C7 C8 119.7(3) . .
C12 C7 P1 120.8(3) . .
C8 C7 P1 119.5(2) . .
C9 C8 C7 120.3(3) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C10 C9 C8 119.9(4) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 C11 120.4(3) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C10 C11 C12 120.6(4) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C7 C12 C11 119.1(3) . .
C7 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C18 C13 C14 119.9(3) . .
C18 C13 P2 119.5(2) . .
C14 C13 P2 120.6(2) . .
C15 C14 C13 119.5(3) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C16 C15 C14 120.1(4) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C17 C16 C15 120.5(3) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C16 C17 C18 120.1(4) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C13 119.8(3) . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
C20 C19 C24 119.5(3) . .
C20 C19 P3 118.6(2) . .
C24 C19 P3 121.9(2) . .
C21 C20 C19 120.4(3) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C22 C21 C20 119.8(3) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C21 C22 C23 120.3(3) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C22 C23 C24 120.3(3) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C23 C24 C19 119.7(3) . .
C23 C24 H24 120.1 . .
C19 C24 H24 120.1 . .
C26 C25 C30 119.1(3) . .
C26 C25 P3 121.4(2) . .
C30 C25 P3 119.4(2) . .
C25 C26 C27 119.9(3) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 120.8(3) . .
C28 C27 H27 119.6 . .
C26 C27 H27 119.6 . .
C27 C28 C29 119.7(3) . .
C27 C28 H28 120.2 . .
C29 C28 H28 120.2 . .
C28 C29 C30 120.3(3) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C29 C30 C25 120.2(3) . .
C29 C30 H30 119.9 . .
C25 C30 H30 119.9 . .
P2 C31 P1 111.52(14) . .
P2 C31 H31A 109.3 . .
P1 C31 H31A 109.3 . .
P2 C31 H31B 109.3 . .
P1 C31 H31B 109.3 . .
H31A C31 H31B 108.0 . .
P2 C32 P3 112.56(15) 2_666 .
P2 C32 H32A 109.1 2_666 .
P3 C32 H32A 109.1 . .
P2 C32 H32B 109.1 2_666 .
P3 C32 H32B 109.1 . .
H32A C32 H32B 107.8 . .
C34 C33 H33A 109.5 . .
C34 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C34 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
O2 C34 C33 110.9(4) . .
O2 C34 H34A 109.5 . .
C33 C34 H34A 109.5 . .
O2 C34 H34B 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 108.1 . .
O2 C35 C36 108.3(5) . .
O2 C35 H35A 110.0 . .
C36 C35 H35A 110.0 . .
O2 C35 H35B 110.0 . .
C36 C35 H35B 110.0 . .
H35A C35 H35B 108.4 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C7 P1 C1 104.01(13) . .
C7 P1 C31 103.98(14) . .
C1 P1 C31 103.73(13) . .
C7 P1 Ag11 127.26(12) . .
C1 P1 Ag11 104.15(11) . .
C31 P1 Ag11 111.30(10) . .
C7 P1 Ag1 117.54(11) . .
C1 P1 Ag1 112.44(10) . .
C31 P1 Ag1 113.72(9) . .
C13 P2 C31 107.19(13) . .
C13 P2 C32 107.41(13) . 2_666
C31 P2 C32 103.12(13) . 2_666
C13 P2 Au1 115.00(10) . .
C31 P2 Au1 110.60(9) . .
C32 P2 Au1 112.72(9) 2_666 .
C19 P3 C25 105.63(14) . .
C19 P3 C32 105.70(13) . .
C25 P3 C32 102.93(13) . .
C19 P3 Ag11 102.81(12) . .
C25 P3 Ag11 122.92(11) . .
C32 P3 Ag11 115.38(10) . .
C19 P3 Ag1 112.73(10) . .
C25 P3 Ag1 116.52(10) . .
C32 P3 Ag1 112.29(9) . .
F6 P4 F3 90.04(19) . .
F6 P4 F5 179.2(2) . .
F3 P4 F5 90.67(19) . .
F6 P4 F2 90.0(2) . .
F3 P4 F2 91.09(17) . .
F5 P4 F2 89.65(19) . .
F6 P4 F1 89.7(2) . .
F3 P4 F1 90.16(16) . .
F5 P4 F1 90.63(19) . .
F2 P4 F1 178.72(17) . .
F6 P4 F4 90.7(2) . .
F3 P4 F4 178.32(18) . .
F5 P4 F4 88.60(19) . .
F2 P4 F4 90.41(15) . .
F1 P4 F4 88.34(15) . .
F8 P5 F8 180.0 . 2_665
F8 P5 F9 90.66(19) . 2_665
F8 P5 F9 89.34(19) 2_665 2_665
F8 P5 F9 89.34(19) . .
F8 P5 F9 90.66(19) 2_665 .
F9 P5 F9 180.0(2) 2_665 .
F8 P5 F7 89.79(17) . 2_665
F8 P5 F7 90.21(17) 2_665 2_665
F9 P5 F7 89.73(16) 2_665 2_665
F9 P5 F7 90.27(16) . 2_665
F8 P5 F7 90.21(17) . .
F8 P5 F7 89.79(17) 2_665 .
F9 P5 F7 90.27(16) 2_665 .
F9 P5 F7 89.73(16) . .
F7 P5 F7 180.0 2_665 .
P2 Au1 P2 180.0 . 2_666
P2 Au1 Ag11 87.41(4) . .
P2 Au1 Ag11 92.58(4) 2_666 .
P2 Au1 Ag11 92.58(4) . 2_666
P2 Au1 Ag11 87.42(4) 2_666 2_666
Ag11 Au1 Ag11 180.0 . 2_666
P2 Au1 Ag1 94.590(19) . 2_666
P2 Au1 Ag1 85.410(19) 2_666 2_666
P2 Au1 Ag1 85.409(19) . .
P2 Au1 Ag1 94.591(19) 2_666 .
Ag1 Au1 Ag1 180.0 2_666 .
Ag1 O1 H1O1 97.4 . .
Ag1 O1 H2O1 117.0 . .
H1O1 O1 H2O1 107.7 . .
C35 O2 C34 112.4(4) . .
Cl2 C37 Cl1 110.0(6) . .
Cl2 C37 H37A 109.7 . .
Cl1 C37 H37A 109.7 . .
Cl2 C37 H37B 109.7 . .
Cl1 C37 H37B 109.7 . .
H37A C37 H37B 108.2 . .
Cl11 C137 Cl21 113.0(7) . .
Cl11 C137 H13A 109.0 . .
Cl21 C137 H13A 109.0 . .
Cl11 C137 H13B 109.0 . .
Cl21 C137 H13B 109.0 . .
H13A C137 H13B 107.8 . .
O1 Ag1 P1 112.07(7) . .
O1 Ag1 P3 102.89(7) . .
P1 Ag1 P3 143.14(5) . .
O1 Ag1 Au1 115.11(7) . .
P1 Ag1 Au1 89.73(2) . .
P3 Ag1 Au1 85.71(2) . .
P3 Ag11 P1 163.21(13) . .
P3 Ag11 Au1 90.27(5) . .
P1 Ag11 Au1 92.90(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.388(4) .
C1 C6 1.391(4) .
C1 P1 1.825(3) .
C2 C3 1.399(4) .
C2 H2 0.9500 .
C3 C4 1.380(5) .
C3 H3 0.9500 .
C4 C5 1.387(5) .
C4 H4 0.9500 .
C5 C6 1.393(5) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.387(4) .
C7 C8 1.394(5) .
C7 P1 1.811(3) .
C8 C9 1.386(5) .
C8 H8 0.9500 .
C9 C10 1.372(6) .
C9 H9 0.9500 .
C10 C11 1.373(6) .
C10 H10 0.9500 .
C11 C12 1.400(5) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.393(4) .
C13 C14 1.397(4) .
C13 P2 1.803(3) .
C14 C15 1.390(5) .
C14 H14 0.9500 .
C15 C16 1.381(6) .
C15 H15 0.9500 .
C16 C17 1.379(6) .
C16 H16 0.9500 .
C17 C18 1.385(5) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.392(4) .
C19 C24 1.395(4) .
C19 P3 1.810(3) .
C20 C21 1.391(5) .
C20 H20 0.9500 .
C21 C22 1.376(6) .
C21 H21 0.9500 .
C22 C23 1.388(6) .
C22 H22 0.9500 .
C23 C24 1.389(5) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.387(4) .
C25 C30 1.397(4) .
C25 P3 1.818(3) .
C26 C27 1.392(5) .
C26 H26 0.9500 .
C27 C28 1.372(6) .
C27 H27 0.9500 .
C28 C29 1.382(5) .
C28 H28 0.9500 .
C29 C30 1.387(5) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 P2 1.819(3) .
C31 P1 1.839(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 P2 1.826(3) 2_666
C32 P3 1.837(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.448(8) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 O2 1.434(6) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 O2 1.421(6) .
C35 C36 1.451(8) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
F1 P4 1.594(3) .
F2 P4 1.589(3) .
F3 P4 1.578(2) .
F4 P4 1.598(2) .
F5 P4 1.582(3) .
F6 P4 1.573(3) .
F7 P5 1.604(3) .
F8 P5 1.580(3) .
F9 P5 1.598(3) .
P1 Ag11 2.3610(17) .
P1 Ag1 2.4187(8) .
P2 C32 1.826(3) 2_666
P2 Au1 2.3234(7) .
P3 Ag11 2.3044(18) .
P3 Ag1 2.4463(9) .
P5 F8 1.580(3) 2_665
P5 F9 1.598(3) 2_665
P5 F7 1.604(3) 2_665
Au1 P2 2.3234(7) 2_666
Au1 Ag11 2.9309(16) .
Au1 Ag11 2.9309(16) 2_666
Au1 Ag1 3.0137(4) 2_666
Au1 Ag1 3.0138(4) .
O1 Ag1 2.403(3) .
O1 H1O1 0.8500 .
O1 H2O1 0.8500 .
C37 Cl2 1.725(12) .
C37 Cl1 1.763(11) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
Cl21 C137 1.729(12) .
Cl11 C137 1.716(13) .
C137 H13A 0.9900 .
C137 H13B 0.9900 .
