#------------------------------------------------------------------------------
#$Date: 2019-11-24 13:11:58 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237980 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/91/4089100.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_4089100
loop_
_publ_author_name
'Belyaev, Andrey'
'Dau, Thuy Minh'
'Jänis, Janne'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate
 Phosphines
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              3763
_journal_paper_doi               10.1021/acs.organomet.6b00701
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C114 H88 Ag2 Au O4 P6, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C116 H90 Ag2 Au Cl2 F3 O7 P6 S'
_chemical_formula_weight         2354.36
_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                91.07(4)
_cell_angle_beta                 95.03(5)
_cell_angle_gamma                100.96(5)
_cell_formula_units_Z            1
_cell_length_a                   11.49(3)
_cell_length_b                   14.45(3)
_cell_length_c                   15.54(3)
_cell_measurement_reflns_used    9276
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.97
_cell_measurement_theta_min      2.33
_cell_volume                     2522(10)
_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.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            48833
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.814
_exptl_absorpt_coefficient_mu    2.070
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       block
_exptl_crystal_F_000             1182
_exptl_crystal_size_max          0.268
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.064
_refine_diff_density_max         3.009
_refine_diff_density_min         -1.809
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     664
_refine_ls_number_reflns         9210
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0538
_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)+(0.0272P)²+23.6543P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1190
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7685
_reflns_number_total             9210
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00701_si_002.cif
_cod_data_source_block           14
_cod_database_code               4089100
_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   0.607
_shelx_estimated_absorpt_t_max   0.879
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
C1 C 0.1444(5) 0.0985(4) 0.5363(4) 0.0166(12) Uani 1 1 d . . .
C2 C 0.2267(5) 0.1637(4) 0.5524(4) 0.0193(13) Uani 1 1 d . . .
C3 C 0.3265(5) 0.2448(4) 0.5721(4) 0.0196(13) Uani 1 1 d . . .
C4 C 0.3756(6) 0.2478(4) 0.6670(4) 0.0233(14) Uani 1 1 d . . .
C5 C 0.3153(7) 0.1956(6) 0.7281(5) 0.045(2) Uani 1 1 d . . .
H5 H 0.2420 0.1542 0.7107 0.054 Uiso 1 1 calc R U .
C6 C 0.3589(9) 0.2020(7) 0.8143(6) 0.066(3) Uani 1 1 d . . .
H6 H 0.3153 0.1657 0.8553 0.079 Uiso 1 1 calc R U .
C7 C 0.4658(9) 0.2612(7) 0.8407(6) 0.059(3) Uani 1 1 d . . .
H7 H 0.4968 0.2655 0.8997 0.071 Uiso 1 1 calc R U .
C8 C 0.5264(7) 0.3137(6) 0.7800(5) 0.048(2) Uani 1 1 d . . .
H8 H 0.5998 0.3550 0.7977 0.058 Uiso 1 1 calc R U .
C9 C 0.4829(7) 0.3078(5) 0.6943(5) 0.0369(18) Uani 1 1 d . . .
H9 H 0.5264 0.3448 0.6535 0.044 Uiso 1 1 calc R U .
C10 C 0.2813(5) 0.3371(4) 0.5518(4) 0.0193(13) Uani 1 1 d . . .
C11 C 0.1709(5) 0.3486(4) 0.5749(4) 0.0221(14) Uani 1 1 d . . .
H11 H 0.1239 0.3007 0.6049 0.027 Uiso 1 1 calc R U .
C12 C 0.1292(6) 0.4301(4) 0.5542(5) 0.0253(14) Uani 1 1 d . . .
H12 H 0.0526 0.4366 0.5691 0.030 Uiso 1 1 calc R U .
C13 C 0.1967(6) 0.5017(5) 0.5125(4) 0.0279(15) Uani 1 1 d . . .
H13 H 0.1671 0.5573 0.4986 0.034 Uiso 1 1 calc R U .
C14 C 0.3079(6) 0.4916(5) 0.4913(4) 0.0277(15) Uani 1 1 d . . .
H14 H 0.3558 0.5408 0.4633 0.033 Uiso 1 1 calc R U .
C15 C 0.3501(6) 0.4096(4) 0.5108(4) 0.0233(14) Uani 1 1 d . . .
H15 H 0.4268 0.4033 0.4960 0.028 Uiso 1 1 calc R U .
C16 C 0.3751(5) 0.0367(4) 0.2996(4) 0.0198(13) Uani 1 1 d . . .
C17 C 0.4098(6) -0.0111(5) 0.3718(5) 0.0316(16) Uani 1 1 d . . .
H17 H 0.3524 -0.0380 0.4092 0.038 Uiso 1 1 calc R U .
C18 C 0.5270(6) -0.0193(5) 0.3888(5) 0.0346(17) Uani 1 1 d . . .
H18 H 0.5496 -0.0542 0.4366 0.042 Uiso 1 1 calc R U .
C19 C 0.6114(6) 0.0227(6) 0.3370(5) 0.0379(19) Uani 1 1 d . . .
H19 H 0.6924 0.0180 0.3501 0.045 Uiso 1 1 calc R U .
C20 C 0.5793(7) 0.0715(6) 0.2664(5) 0.042(2) Uani 1 1 d . . .
H20 H 0.6380 0.1008 0.2308 0.050 Uiso 1 1 calc R U .
C21 C 0.4598(6) 0.0777(5) 0.2472(4) 0.0285(15) Uani 1 1 d . . .
H21 H 0.4369 0.1104 0.1979 0.034 Uiso 1 1 calc R U .
C22 C 0.1569(6) -0.0836(4) 0.2402(4) 0.0205(13) Uani 1 1 d . . .
C23 C 0.2222(7) -0.1386(5) 0.1982(4) 0.0274(15) Uani 1 1 d . . .
H23 H 0.3037 -0.1143 0.1917 0.033 Uiso 1 1 calc R U .
C24 C 0.1720(7) -0.2277(5) 0.1656(5) 0.0330(17) Uani 1 1 d . . .
H24 H 0.2182 -0.2637 0.1361 0.040 Uiso 1 1 calc R U .
C25 C 0.0541(7) -0.2648(5) 0.1759(5) 0.0366(18) Uani 1 1 d . . .
H25 H 0.0187 -0.3262 0.1531 0.044 Uiso 1 1 calc R U .
C26 C -0.0117(7) -0.2119(5) 0.2196(5) 0.0385(18) Uani 1 1 d . . .
H26 H -0.0924 -0.2374 0.2274 0.046 Uiso 1 1 calc R U .
C27 C 0.0392(6) -0.1216(5) 0.2523(4) 0.0268(15) Uani 1 1 d . . .
H27 H -0.0064 -0.0859 0.2828 0.032 Uiso 1 1 calc R U .
C28 C 0.2258(5) 0.2054(4) 0.1809(4) 0.0196(13) Uani 1 1 d . . .
C29 C 0.1984(6) 0.2515(5) 0.1063(5) 0.0275(15) Uani 1 1 d . . .
H29 H 0.2162 0.3185 0.1073 0.033 Uiso 1 1 calc R U .
C30 C 0.1462(6) 0.2033(5) 0.0306(4) 0.0293(16) Uani 1 1 d . . .
H30 H 0.1267 0.2365 -0.0192 0.035 Uiso 1 1 calc R U .
C31 C 0.1231(6) 0.1058(5) 0.0290(4) 0.0257(14) Uani 1 1 d . . .
H31 H 0.0882 0.0715 -0.0226 0.031 Uiso 1 1 calc R U .
C32 C 0.1506(5) 0.0579(5) 0.1020(4) 0.0217(13) Uani 1 1 d . . .
H32 H 0.1338 -0.0092 0.0996 0.026 Uiso 1 1 calc R U .
C33 C 0.2024(5) 0.1054(4) 0.1789(4) 0.0177(13) Uani 1 1 d . . .
C34 C 0.4355(6) 0.3446(4) 0.2392(4) 0.0223(14) Uani 1 1 d . . .
C35 C 0.5054(6) 0.4124(5) 0.2949(4) 0.0290(16) Uani 1 1 d . . .
H35 H 0.4755 0.4292 0.3469 0.035 Uiso 1 1 calc R U .
C36 C 0.6172(6) 0.4562(5) 0.2770(5) 0.0339(17) Uani 1 1 d . . .
H36 H 0.6619 0.5054 0.3145 0.041 Uiso 1 1 calc R U .
C37 C 0.6641(7) 0.4288(6) 0.2047(6) 0.045(2) Uani 1 1 d . . .
H37 H 0.7418 0.4584 0.1926 0.054 Uiso 1 1 calc R U .
C38 C 0.5984(8) 0.3582(7) 0.1498(6) 0.051(2) Uani 1 1 d . . .
H38 H 0.6319 0.3380 0.1007 0.061 Uiso 1 1 calc R U .
C39 C 0.4832(7) 0.3165(6) 0.1659(5) 0.0381(18) Uani 1 1 d . . .
H39 H 0.4373 0.2690 0.1270 0.046 Uiso 1 1 calc R U .
C40 C 0.1990(5) 0.3715(4) 0.2784(4) 0.0171(12) Uani 1 1 d . . .
C41 C 0.0835(5) 0.3518(4) 0.3073(4) 0.0190(13) Uani 1 1 d . . .
C42 C 0.0215(6) 0.4251(5) 0.3139(4) 0.0247(14) Uani 1 1 d . . .
H42 H -0.0551 0.4129 0.3347 0.030 Uiso 1 1 calc R U .
C43 C 0.0692(6) 0.5155(5) 0.2906(5) 0.0290(16) Uani 1 1 d . . .
H43 H 0.0257 0.5647 0.2959 0.035 Uiso 1 1 calc R U .
C44 C 0.1789(7) 0.5338(5) 0.2599(5) 0.0349(17) Uani 1 1 d . . .
H44 H 0.2110 0.5954 0.2425 0.042 Uiso 1 1 calc R U .
C45 C 0.2429(6) 0.4621(5) 0.2543(5) 0.0272(15) Uani 1 1 d . . .
H45 H 0.3193 0.4757 0.2333 0.033 Uiso 1 1 calc R U .
C46 C -0.1142(5) 0.2428(4) 0.3941(4) 0.0197(13) Uani 1 1 d . . .
C47 C -0.0976(5) 0.2259(4) 0.4822(4) 0.0207(13) Uani 1 1 d . . .
H47 H -0.0227 0.2144 0.5057 0.025 Uiso 1 1 calc R U .
C48 C -0.1869(6) 0.2257(4) 0.5355(4) 0.0237(14) Uani 1 1 d . . .
H48 H -0.1737 0.2148 0.5954 0.028 Uiso 1 1 calc R U .
C49 C -0.2965(6) 0.2414(4) 0.5008(5) 0.0265(15) Uani 1 1 d . . .
H49 H -0.3597 0.2397 0.5367 0.032 Uiso 1 1 calc R U .
C50 C -0.3141(6) 0.2595(5) 0.4148(5) 0.0308(16) Uani 1 1 d . . .
H50 H -0.3890 0.2717 0.3920 0.037 Uiso 1 1 calc R U .
C51 C -0.2250(6) 0.2602(5) 0.3607(5) 0.0292(16) Uani 1 1 d . . .
H51 H -0.2386 0.2725 0.3012 0.035 Uiso 1 1 calc R U .
C52 C -0.0738(5) 0.1935(4) 0.2211(4) 0.0197(13) Uani 1 1 d . . .
C53 C -0.1199(6) 0.0982(5) 0.2077(5) 0.0257(14) Uani 1 1 d . . .
H53 H -0.1090 0.0558 0.2524 0.031 Uiso 1 1 calc R U .
C54 C -0.1819(6) 0.0640(5) 0.1295(5) 0.0345(18) Uani 1 1 d . . .
H54 H -0.2133 -0.0016 0.1210 0.041 Uiso 1 1 calc R U .
C55 C -0.1982(6) 0.1245(6) 0.0642(5) 0.0383(19) Uani 1 1 d . . .
H55 H -0.2408 0.1010 0.0106 0.046 Uiso 1 1 calc R U .
C56 C -0.1522(8) 0.2198(6) 0.0772(5) 0.046(2) Uani 1 1 d . . .
H56 H -0.1632 0.2620 0.0323 0.056 Uiso 1 1 calc R U .
C57 C -0.0902(7) 0.2540(6) 0.1550(5) 0.0371(18) Uani 1 1 d . . .
H57 H -0.0586 0.3196 0.1632 0.044 Uiso 1 1 calc R U .
C58 C 0.952(2) 0.5036(16) 0.0097(18) 0.039(9) Uani 0.5 1 d D U P
C59 C 0.5051(15) 0.0170(12) -0.0581(10) 0.061(6) Uani 0.5 1 d D . P
H59A H 0.5755 0.0546 -0.0821 0.073 Uiso 0.5 1 calc R U P
H59B H 0.4431 -0.0030 -0.1067 0.073 Uiso 0.5 1 calc R U P
O1 O 0.3136(3) 0.2366(3) 0.3543(3) 0.0159(9) Uani 1 1 d . . .
O2 O 0.4225(4) 0.2367(3) 0.5218(3) 0.0216(9) Uani 1 1 d . . .
H2 H 0.3987 0.2353 0.4690 0.032 Uiso 1 1 calc R U .
O3 O 0.925(5) 0.491(3) 0.0969(18) 0.047(8) Uani 0.5 1 d D . P
O4 O 0.848(4) 0.426(3) -0.042(2) 0.051(10) Uani 0.5 1 d D . P
O5 O 0.893(3) 0.583(2) -0.0280(18) 0.058(8) Uani 0.5 1 d D U P
P1 P 0.21732(14) 0.03779(11) 0.27796(10) 0.0171(3) Uani 1 1 d . . .
P2 P 0.29373(14) 0.28329(11) 0.27111(10) 0.0168(3) Uani 1 1 d . . .
P3 P 0.00563(13) 0.23163(11) 0.32713(10) 0.0172(3) Uani 1 1 d . . .
Ag1 Ag 0.12823(4) 0.12161(3) 0.38480(3) 0.01730(12) Uani 1 1 d . . .
Au1 Au 0.0000 0.0000 0.5000 0.01784(10) Uani 1 2 d S . P
S1 S 0.9098(7) 0.5005(4) 0.0090(4) 0.0336(13) Uani 0.5 1 d D . P
F1 F 0.907(5) 0.495(4) 0.096(2) 0.068(11) Uani 0.5 1 d D . P
F2 F 0.855(4) 0.434(3) -0.036(2) 0.078(11) Uani 0.5 1 d D . P
F3 F 0.916(2) 0.5937(14) -0.0096(14) 0.050(5) Uani 0.5 1 d D U P
Cl1 Cl 0.4539(3) 0.0854(3) 0.0113(2) 0.0917(10) Uani 1 1 d D . .
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'
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'
S S 0.1246 0.1234 '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'
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 Au1 173.5(5) . .
C2 C1 Ag1 94.8(4) . .
Au1 C1 Ag1 80.3(2) . .
C1 C2 C3 179.0(6) . .
O2 C3 C2 110.3(5) . .
O2 C3 C4 106.9(5) . .
C2 C3 C4 111.1(5) . .
O2 C3 C10 110.1(5) . .
C2 C3 C10 108.8(5) . .
C4 C3 C10 109.6(5) . .
C5 C4 C9 118.0(7) . .
C5 C4 C3 122.4(6) . .
C9 C4 C3 119.5(6) . .
C4 C5 C6 121.5(7) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C7 C6 C5 120.1(8) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C8 C7 C6 118.7(8) . .
C8 C7 H7 120.6 . .
C6 C7 H7 120.6 . .
C7 C8 C9 121.3(7) . .
C7 C8 H8 119.3 . .
C9 C8 H8 119.3 . .
C8 C9 C4 120.3(7) . .
C8 C9 H9 119.9 . .
C4 C9 H9 119.9 . .
C11 C10 C15 118.8(6) . .
C11 C10 C3 120.2(5) . .
C15 C10 C3 121.0(6) . .
C12 C11 C10 120.0(6) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C13 C12 C11 121.2(6) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C14 119.0(6) . .
C12 C13 H13 120.5 . .
C14 C13 H13 120.5 . .
C13 C14 C15 120.3(6) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C10 C15 C14 120.6(6) . .
C10 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C21 C16 C17 119.3(6) . .
C21 C16 P1 123.3(5) . .
C17 C16 P1 117.3(5) . .
C18 C17 C16 120.1(7) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C19 C18 C17 120.3(7) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 120.4(7) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C21 119.5(7) . .
C19 C20 H20 120.2 . .
C21 C20 H20 120.2 . .
C16 C21 C20 120.2(7) . .
C16 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C23 C22 C27 118.6(6) . .
C23 C22 P1 122.9(5) . .
C27 C22 P1 118.5(5) . .
C24 C23 C22 121.5(7) . .
C24 C23 H23 119.2 . .
C22 C23 H23 119.2 . .
C23 C24 C25 119.9(7) . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C26 C25 C24 119.4(7) . .
C26 C25 H25 120.3 . .
C24 C25 H25 120.3 . .
C25 C26 C27 120.6(7) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C22 C27 C26 119.9(7) . .
C22 C27 H27 120.1 . .
C26 C27 H27 120.1 . .
C29 C28 C33 118.9(6) . .
C29 C28 P2 114.2(5) . .
C33 C28 P2 126.9(5) . .
C30 C29 C28 122.3(6) . .
C30 C29 H29 118.8 . .
C28 C29 H29 118.8 . .
C31 C30 C29 118.6(6) . .
C31 C30 H30 120.7 . .
C29 C30 H30 120.7 . .
C30 C31 C32 120.5(6) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
C31 C32 C33 121.7(6) . .
C31 C32 H32 119.2 . .
C33 C32 H32 119.2 . .
C32 C33 C28 118.1(6) . .
C32 C33 P1 119.3(5) . .
C28 C33 P1 122.0(5) . .
C35 C34 C39 118.6(6) . .
C35 C34 P2 119.0(5) . .
C39 C34 P2 121.8(5) . .
C36 C35 C34 121.5(7) . .
C36 C35 H35 119.2 . .
C34 C35 H35 119.2 . .
C37 C36 C35 119.8(7) . .
C37 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C36 C37 C38 119.9(7) . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C37 C38 C39 120.4(8) . .
C37 C38 H38 119.8 . .
C39 C38 H38 119.8 . .
C34 C39 C38 119.6(7) . .
C34 C39 H39 120.2 . .
C38 C39 H39 120.2 . .
C45 C40 C41 118.3(6) . .
C45 C40 P2 118.0(5) . .
C41 C40 P2 123.7(5) . .
C42 C41 C40 118.8(6) . .
C42 C41 P3 118.0(5) . .
C40 C41 P3 123.0(5) . .
C43 C42 C41 121.3(6) . .
C43 C42 H42 119.4 . .
C41 C42 H42 119.4 . .
C44 C43 C42 119.9(6) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C45 119.6(7) . .
C43 C44 H44 120.2 . .
C45 C44 H44 120.2 . .
C40 C45 C44 122.0(7) . .
C40 C45 H45 119.0 . .
C44 C45 H45 119.0 . .
C47 C46 C51 118.3(6) . .
C47 C46 P3 118.1(5) . .
C51 C46 P3 123.4(5) . .
C48 C47 C46 121.6(6) . .
C48 C47 H47 119.2 . .
C46 C47 H47 119.2 . .
C47 C48 C49 119.1(6) . .
C47 C48 H48 120.4 . .
C49 C48 H48 120.4 . .
C50 C49 C48 120.2(6) . .
C50 C49 H49 119.9 . .
C48 C49 H49 119.9 . .
C49 C50 C51 121.2(6) . .
C49 C50 H50 119.4 . .
C51 C50 H50 119.4 . .
C50 C51 C46 119.6(7) . .
C50 C51 H51 120.2 . .
C46 C51 H51 120.2 . .
C53 C52 C57 118.8(6) . .
C53 C52 P3 117.1(5) . .
C57 C52 P3 124.1(5) . .
C52 C53 C54 120.5(7) . .
C52 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C55 C54 C53 120.3(7) . .
C55 C54 H54 119.8 . .
C53 C54 H54 119.8 . .
C54 C55 C56 119.4(7) . .
C54 C55 H55 120.3 . .
C56 C55 H55 120.3 . .
C57 C56 C55 120.3(8) . .
C57 C56 H56 119.8 . .
C55 C56 H56 119.8 . .
C56 C57 C52 120.6(7) . .
C56 C57 H57 119.7 . .
C52 C57 H57 119.7 . .
C58 C58 F3 116(3) 2_765 .
C58 C58 F2 113(4) 2_765 .
F3 C58 F2 103(3) . .
C58 C58 F1 128(4) 2_765 .
F3 C58 F1 96(3) . .
F2 C58 F1 97(3) . .
C58 C58 S1 5.4(18) 2_765 2_765
F3 C58 S1 114.6(17) . 2_765
F2 C58 S1 118(3) . 2_765
F1 C58 S1 124(3) . 2_765
Cl1 C59 Cl1 113.8(10) . 2_655
Cl1 C59 H59A 108.8 . .
Cl1 C59 H59A 108.8 2_655 .
Cl1 C59 H59B 108.8 . .
Cl1 C59 H59B 108.8 2_655 .
H59A C59 H59B 107.7 . .
P2 O1 Ag1 110.6(2) . .
C3 O2 H2 109.5 . .
C16 P1 C22 102.2(3) . .
C16 P1 C33 106.2(3) . .
C22 P1 C33 103.0(3) . .
C16 P1 Ag1 116.5(2) . .
C22 P1 Ag1 123.4(2) . .
C33 P1 Ag1 103.8(2) . .
O1 P2 C28 115.5(3) . .
O1 P2 C34 109.4(3) . .
C28 P2 C34 106.2(3) . .
O1 P2 C40 113.0(3) . .
C28 P2 C40 105.4(3) . .
C34 P2 C40 106.9(3) . .
C46 P3 C52 103.2(3) . .
C46 P3 C41 107.2(3) . .
C52 P3 C41 102.2(3) . .
C46 P3 Ag1 112.5(2) . .
C52 P3 Ag1 113.3(2) . .
C41 P3 Ag1 116.9(3) . .
C1 Ag1 P1 125.17(18) . .
C1 Ag1 P3 118.90(15) . .
P1 Ag1 P3 115.86(14) . .
C1 Ag1 O1 106.49(18) . .
P1 Ag1 O1 75.79(16) . .
P3 Ag1 O1 89.83(19) . .
C1 Ag1 Au1 44.01(16) . .
P1 Ag1 Au1 113.26(15) . .
P3 Ag1 Au1 109.54(15) . .
O1 Ag1 Au1 149.76(10) . .
C1 Au1 C1 180.0 . 2_556
C1 Au1 Ag1 55.7(2) . .
C1 Au1 Ag1 124.3(2) 2_556 .
C1 Au1 Ag1 124.3(2) . 2_556
C1 Au1 Ag1 55.7(2) 2_556 2_556
Ag1 Au1 Ag1 180.0 . 2_556
O5 S1 O3 123(2) . .
O5 S1 O4 109(2) . .
O3 S1 O4 119(2) . .
O5 S1 C58 102.6(15) . 2_765
O3 S1 C58 96(2) . 2_765
O4 S1 C58 101(2) . 2_765
O5 S1 S1 102.4(14) . 2_765
O3 S1 S1 94(3) . 2_765
O4 S1 S1 104(2) . 2_765
C58 S1 S1 3.0(10) 2_765 2_765
C59 Cl1 C59 66.2(10) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.206(9) .
C1 Au1 2.001(7) .
C1 Ag1 2.380(8) .
C2 C3 1.482(9) .
C3 O2 1.427(8) .
C3 C4 1.528(9) .
C3 C10 1.548(9) .
C4 C5 1.376(10) .
C4 C9 1.393(10) .
C5 C6 1.382(12) .
C5 H5 0.9500 .
C6 C7 1.380(12) .
C6 H6 0.9500 .
C7 C8 1.375(12) .
C7 H7 0.9500 .
C8 C9 1.377(11) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C11 1.386(9) .
C10 C15 1.388(9) .
C11 C12 1.385(9) .
C11 H11 0.9500 .
C12 C13 1.379(10) .
C12 H12 0.9500 .
C13 C14 1.380(11) .
C13 H13 0.9500 .
C14 C15 1.391(10) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C21 1.378(9) .
C16 C17 1.395(10) .
C16 P1 1.817(8) .
C17 C18 1.377(10) .
C17 H17 0.9500 .
C18 C19 1.373(11) .
C18 H18 0.9500 .
C19 C20 1.377(11) .
C19 H19 0.9500 .
C20 C21 1.399(10) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.383(9) .
C22 C27 1.389(10) .
C22 P1 1.825(7) .
C23 C24 1.373(10) .
C23 H23 0.9500 .
C24 C25 1.383(12) .
C24 H24 0.9500 .
C25 C26 1.381(12) .
C25 H25 0.9500 .
C26 C27 1.391(10) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.389(9) .
C28 C33 1.418(9) .
C28 P2 1.804(7) .
C29 C30 1.384(10) .
C29 H29 0.9500 .
C30 C31 1.381(10) .
C30 H30 0.9500 .
C31 C32 1.384(9) .
C31 H31 0.9500 .
C32 C33 1.393(9) .
C32 H32 0.9500 .
C33 P1 1.851(7) .
C34 C35 1.379(10) .
C34 C39 1.392(10) .
C34 P2 1.815(7) .
C35 C36 1.374(10) .
C35 H35 0.9500 .
C36 C37 1.370(12) .
C36 H36 0.9500 .
C37 C38 1.378(12) .
C37 H37 0.9500 .
C38 C39 1.392(11) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C45 1.382(9) .
C40 C41 1.417(9) .
C40 P2 1.834(7) .
C41 C42 1.391(9) .
C41 P3 1.840(7) .
C42 C43 1.384(10) .
C42 H42 0.9500 .
C43 C44 1.367(11) .
C43 H43 0.9500 .
C44 C45 1.385(10) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C47 1.397(9) .
C46 C51 1.401(9) .
C46 P3 1.825(7) .
C47 C48 1.374(9) .
C47 H47 0.9500 .
C48 C49 1.387(10) .
C48 H48 0.9500 .
C49 C50 1.371(11) .
C49 H49 0.9500 .
C50 C51 1.379(10) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 C53 1.384(9) .
C52 C57 1.385(10) .
C52 P3 1.832(7) .
C53 C54 1.384(10) .
C53 H53 0.9500 .
C54 C55 1.376(12) .
C54 H54 0.9500 .
C55 C56 1.382(12) .
C55 H55 0.9500 .
C56 C57 1.380(11) .
C56 H56 0.9500 .
C57 H57 0.9500 .
C58 C58 1.19(5) 2_765
C58 F3 1.47(3) .
C58 F2 1.47(3) .
C58 F1 1.47(3) .
C58 S1 1.65(3) 2_765
C59 Cl1 1.667(10) .
C59 Cl1 1.785(19) 2_655
C59 H59A 0.9900 .
C59 H59B 0.9900 .
O1 P2 1.488(5) .
O1 Ag1 2.526(6) .
O2 H2 0.8400 .
O3 S1 1.38(3) .
O4 S1 1.38(3) .
O5 S1 1.37(3) .
P1 Ag1 2.442(4) .
P3 Ag1 2.448(4) .
Ag1 Au1 2.838(4) .
Au1 C1 2.001(7) 2_556
Au1 Ag1 2.838(4) 2_556
S1 C58 1.65(3) 2_765
S1 S1 2.118(16) 2_765
Cl1 C59 1.785(19) 2_655
