#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:14:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179445 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/42/4334277.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_4334277
loop_
_publ_author_name
'Igor O. Koshevoy'
'Antti J. Karttunen'
'Ilya S. Kritchenkou'
'Dmitrii V. Krupenya'
'Stanislav I. Selivanov'
'Alexei S. Melnikov'
'Sergey P. Tunik'
'Matti Haukka'
'Tapani A. Pakkanen'
_publ_section_title
;
 Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3663
_journal_page_last               3673
_journal_paper_doi               10.1021/ic302105a
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'C114 H126 Ag2 Au6 O6 P6, 2(C3 H6 O), 2(Cl O4)'
_chemical_formula_sum            'C120 H138 Ag2 Au6 Cl2 O16 P6'
_chemical_formula_weight         3490.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.807(3)
_cell_angle_beta                 98.707(2)
_cell_angle_gamma                98.553(3)
_cell_formula_units_Z            1
_cell_length_a                   13.1001(5)
_cell_length_b                   14.0229(6)
_cell_length_c                   17.8852(8)
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.30
_cell_volume                     3136.6(2)
_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-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42284
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    7.471
_exptl_absorpt_correction_T_max  0.7064
_exptl_absorpt_correction_T_min  0.1305
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_description       needle
_exptl_crystal_F_000             1678
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.875
_refine_diff_density_min         -1.531
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11663
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0626P)²+10.0977P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1239
_reflns_number_gt                7827
_reflns_number_total             11663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302105a_si_002_3.cif
_cod_data_source_block           3
_cod_database_code               4334277
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.7610(8) 0.6783(9) 0.8974(6) 0.037(3) Uani 1 1 d .
C2 C 0.7542(11) 0.5992(9) 0.9112(6) 0.057(4) Uani 1 1 d .
C3 C 0.5841(8) 0.4907(8) 0.7110(6) 0.033(2) Uani 1 1 d .
C4 C 0.5123(8) 0.4421(8) 0.7285(6) 0.036(2) Uani 1 1 d .
C5 C 0.4542(7) 0.7157(7) 0.8021(6) 0.031(2) Uani 1 1 d .
C6 C 0.4574(8) 0.7164(8) 0.8698(6) 0.040(3) Uani 1 1 d .
C7 C 0.7344(14) 0.5040(15) 0.9346(11) 0.110(6) Uani 1 1 d DU
C8 C 0.7560(12) 0.4200(10) 0.8781(8) 0.073(4) Uani 1 1 d .
H8A H 0.7241 0.4228 0.8255 0.110 Uiso 1 1 calc R
H8B H 0.7260 0.3575 0.8899 0.110 Uiso 1 1 calc R
H8C H 0.8320 0.4246 0.8818 0.110 Uiso 1 1 calc R
C9 C 0.7701(14) 0.5092(11) 1.0137(7) 0.080(5) Uani 1 1 d .
H9A H 0.7520 0.4440 1.0254 0.120 Uiso 1 1 calc R
H9B H 0.7368 0.5565 1.0447 0.120 Uiso 1 1 calc R
H9C H 0.8465 0.5309 1.0261 0.120 Uiso 1 1 calc R
C10 C 0.4254(8) 0.3786(8) 0.7513(6) 0.039(3) Uani 1 1 d .
C11 C 0.3409(9) 0.4385(9) 0.7656(8) 0.059(4) Uani 1 1 d .
H11A H 0.2829 0.3980 0.7805 0.088 Uiso 1 1 calc R
H11B H 0.3149 0.4598 0.7182 0.088 Uiso 1 1 calc R
H11C H 0.3701 0.4966 0.8074 0.088 Uiso 1 1 calc R
C12 C 0.3815(10) 0.2865(9) 0.6854(7) 0.058(3) Uani 1 1 d .
H12A H 0.3244 0.2448 0.7002 0.086 Uiso 1 1 calc R
H12B H 0.4376 0.2491 0.6763 0.086 Uiso 1 1 calc R
H12C H 0.3547 0.3073 0.6380 0.086 Uiso 1 1 calc R
C13 C 0.4510(12) 0.7232(11) 0.9514(7) 0.064(4) Uani 1 1 d .
C14 C 0.3578(11) 0.7600(14) 0.9691(8) 0.092(6) Uani 1 1 d .
H14A H 0.3614 0.8272 0.9602 0.138 Uiso 1 1 calc R
H14B H 0.3535 0.7607 1.0234 0.138 Uiso 1 1 calc R
H14C H 0.2954 0.7170 0.9355 0.138 Uiso 1 1 calc R
O3 O 0.4367(14) 0.6219(11) 0.9657(8) 0.158(7) Uani 1 1 d .
H3 H 0.4886 0.5963 0.9563 0.237 Uiso 1 1 calc R
C16 C 0.8612(8) 1.0584(8) 0.9529(6) 0.042(3) Uani 1 1 d .
C17 C 0.9238(9) 1.1481(11) 0.9559(7) 0.063(4) Uani 1 1 d .
H17 H 0.9384 1.1629 0.9085 0.076 Uiso 1 1 calc R
C18 C 0.9665(11) 1.2176(10) 1.0231(8) 0.066(4) Uani 1 1 d .
H18 H 1.0100 1.2779 1.0222 0.079 Uiso 1 1 calc R
C19 C 0.9441(10) 1.1966(10) 1.0898(8) 0.060(4) Uani 1 1 d .
H19 H 0.9709 1.2436 1.1370 0.072 Uiso 1 1 calc R
C20 C 0.8841(12) 1.1097(12) 1.0909(7) 0.068(4) Uani 1 1 d .
H20 H 0.8708 1.0961 1.1390 0.082 Uiso 1 1 calc R
C21 C 0.8412(10) 1.0397(9) 1.0223(6) 0.052(3) Uani 1 1 d .
H21 H 0.7985 0.9794 1.0239 0.062 Uiso 1 1 calc R
C22 C 0.6728(8) 1.0185(7) 0.8381(6) 0.037(3) Uani 1 1 d .
C23 C 0.6744(9) 1.1120(8) 0.8224(7) 0.046(3) Uani 1 1 d .
H23 H 0.7401 1.1533 0.8256 0.055 Uiso 1 1 calc R
C24 C 0.5824(9) 1.1466(10) 0.8019(7) 0.060(4) Uani 1 1 d .
H24 H 0.5842 1.2109 0.7919 0.072 Uiso 1 1 calc R
C25 C 0.4889(10) 1.0849(10) 0.7966(7) 0.062(4) Uani 1 1 d .
H25 H 0.4250 1.1065 0.7817 0.074 Uiso 1 1 calc R
C26 C 0.4856(9) 0.9918(9) 0.8123(6) 0.047(3) Uani 1 1 d .
H26 H 0.4199 0.9504 0.8087 0.056 Uiso 1 1 calc R
C27 C 0.5782(8) 0.9588(8) 0.8335(6) 0.039(3) Uani 1 1 d .
H27 H 0.5761 0.8950 0.8447 0.047 Uiso 1 1 calc R
C28 C 0.9774(7) 0.6257(7) 0.7107(6) 0.031(2) Uani 1 1 d .
C29 C 0.9716(9) 0.5548(9) 0.7551(6) 0.048(3) Uani 1 1 d .
H29 H 0.9053 0.5187 0.7578 0.057 Uiso 1 1 calc R
C30 C 1.0632(11) 0.5368(10) 0.7956(7) 0.059(4) Uani 1 1 d .
H30 H 1.0597 0.4877 0.8256 0.071 Uiso 1 1 calc R
C31 C 1.1579(10) 0.5891(11) 0.7925(7) 0.059(4) Uani 1 1 d .
H31 H 1.2200 0.5764 0.8207 0.070 Uiso 1 1 calc R
C32 C 1.1653(9) 0.6608(10) 0.7487(7) 0.054(3) Uani 1 1 d .
H32 H 1.2319 0.6973 0.7473 0.065 Uiso 1 1 calc R
C33 C 1.0760(7) 0.6784(9) 0.7077(6) 0.040(3) Uani 1 1 d .
H33 H 1.0805 0.7267 0.6769 0.048 Uiso 1 1 calc R
C34 C 0.8635(7) 0.6370(9) 0.5626(6) 0.042(3) Uani 1 1 d .
C35 C 0.8529(10) 0.5405(11) 0.5222(7) 0.066(4) Uani 1 1 d .
H35 H 0.8429 0.4883 0.5490 0.079 Uiso 1 1 calc R
C36 C 0.8563(12) 0.5180(14) 0.4450(8) 0.083(5) Uani 1 1 d .
H36 H 0.8491 0.4513 0.4185 0.100 Uiso 1 1 calc R
C37 C 0.8704(10) 0.5937(15) 0.4063(7) 0.082(6) Uani 1 1 d .
H37 H 0.8763 0.5792 0.3532 0.099 Uiso 1 1 calc R
C38 C 0.8761(10) 0.6895(15) 0.4434(8) 0.081(5) Uani 1 1 d .
H38 H 0.8805 0.7405 0.4152 0.098 Uiso 1 1 calc R
C39 C 0.8756(8) 0.7122(11) 0.5228(7) 0.055(4) Uani 1 1 d .
H39 H 0.8835 0.7790 0.5493 0.067 Uiso 1 1 calc R
C40 C 0.5439(7) 0.8554(7) 0.5598(5) 0.028(2) Uani 1 1 d .
C41 C 0.5280(8) 0.9413(7) 0.6057(6) 0.038(3) Uani 1 1 d .
H41 H 0.4810 0.9386 0.6411 0.045 Uiso 1 1 calc R
C42 C 0.5820(10) 1.0312(8) 0.5987(7) 0.047(3) Uani 1 1 d .
H42 H 0.5713 1.0907 0.6293 0.056 Uiso 1 1 calc R
C43 C 0.6505(10) 1.0352(9) 0.5484(7) 0.051(3) Uani 1 1 d .
H43 H 0.6869 1.0976 0.5448 0.061 Uiso 1 1 calc R
C44 C 0.6678(9) 0.9516(9) 0.5034(7) 0.046(3) Uani 1 1 d .
H44 H 0.7158 0.9552 0.4687 0.055 Uiso 1 1 calc R
C45 C 0.6132(8) 0.8600(8) 0.5091(6) 0.041(3) Uani 1 1 d .
H45 H 0.6239 0.8009 0.4779 0.049 Uiso 1 1 calc R
C46 C 0.3450(7) 0.7231(7) 0.5050(5) 0.028(2) Uani 1 1 d .
C47 C 0.2573(8) 0.7400(8) 0.5366(6) 0.041(3) Uani 1 1 d .
H47 H 0.2628 0.7583 0.5912 0.049 Uiso 1 1 calc R
C48 C 0.1611(9) 0.7299(10) 0.4879(7) 0.058(3) Uani 1 1 d .
H48 H 0.1007 0.7410 0.5092 0.069 Uiso 1 1 calc R
C49 C 0.1534(8) 0.7040(10) 0.4090(7) 0.052(3) Uani 1 1 d .
H49 H 0.0876 0.6974 0.3760 0.062 Uiso 1 1 calc R
C50 C 0.2388(8) 0.6879(7) 0.3782(6) 0.038(3) Uani 1 1 d .
H50 H 0.2327 0.6695 0.3236 0.045 Uiso 1 1 calc R
C51 C 0.3338(8) 0.6978(7) 0.4251(6) 0.035(2) Uani 1 1 d .
H51 H 0.3935 0.6871 0.4025 0.042 Uiso 1 1 calc R
C52 C 0.8697(8) 0.9985(8) 0.7902(6) 0.039(3) Uani 1 1 d .
H52A H 0.8874 1.0707 0.7949 0.046 Uiso 1 1 calc R
H52B H 0.9365 0.9740 0.8001 0.046 Uiso 1 1 calc R
C53 C 0.8136(9) 0.9507(9) 0.7066(6) 0.048(3) Uani 1 1 d .
H53A H 0.7481 0.9772 0.6965 0.057 Uiso 1 1 calc R
H53B H 0.8590 0.9721 0.6710 0.057 Uiso 1 1 calc R
C54 C 0.7853(8) 0.8381(8) 0.6856(6) 0.038(3) Uani 1 1 d .
H54A H 0.7324 0.8157 0.7156 0.045 Uiso 1 1 calc R
H54B H 0.7537 0.8163 0.6299 0.045 Uiso 1 1 calc R
C55 C 0.8806(8) 0.7912(8) 0.7022(6) 0.041(3) Uani 1 1 d .
H55A H 0.9046 0.8044 0.7590 0.049 Uiso 1 1 calc R
H55B H 0.9378 0.8233 0.6799 0.049 Uiso 1 1 calc R
C56 C 0.5343(7) 0.6428(7) 0.5216(5) 0.028(2) Uani 1 1 d .
H56A H 0.5390 0.6509 0.4684 0.033 Uiso 1 1 calc R
H56B H 0.6066 0.6499 0.5506 0.033 Uiso 1 1 calc R
C57 C 0.4733(7) 0.5402(6) 0.5186(6) 0.028(2) Uani 1 1 d .
H57A H 0.4671 0.5330 0.5718 0.034 Uiso 1 1 calc R
H57B H 0.4015 0.5328 0.4886 0.034 Uiso 1 1 calc R
C58 C 1.0775(13) 1.2256(13) 0.7505(8) 0.124(9) Uani 1 1 d D
H58A H 1.0313 1.2721 0.7394 0.187 Uiso 1 1 calc R
H58B H 1.0376 1.1580 0.7341 0.187 Uiso 1 1 calc R
H58C H 1.1358 1.2327 0.7223 0.187 Uiso 1 1 calc R
C59 C 1.1846(12) 1.2135(10) 0.8777(8) 0.078(5) Uani 1 1 d D
H59A H 1.1880 1.2518 0.9302 0.117 Uiso 1 1 calc R
H59B H 1.2544 1.2230 0.8639 0.117 Uiso 1 1 calc R
H59C H 1.1608 1.1433 0.8759 0.117 Uiso 1 1 calc R
C60 C 1.1154(19) 1.245(2) 0.8264(11) 0.155(9) Uani 1 1 d DU
P1 P 0.7947(2) 0.9750(2) 0.86436(15) 0.0339(6) Uani 1 1 d .
P2 P 0.85891(19) 0.6581(2) 0.66415(15) 0.0334(6) Uani 1 1 d .
P3 P 0.47093(19) 0.73834(18) 0.56823(14) 0.0256(5) Uani 1 1 d .
Ag1 Ag 0.59604(6) 0.63163(6) 0.81247(5) 0.0424(2) Uani 1 1 d .
Au1 Au 0.77349(3) 0.81594(3) 0.87953(2) 0.03401(12) Uani 1 1 d .
Au2 Au 0.71136(3) 0.57069(3) 0.68670(2) 0.03492(12) Uani 1 1 d .
Au3 Au 0.46045(3) 0.72629(3) 0.69183(2) 0.02884(11) Uani 1 1 d .
Cl1 Cl 0.1696(3) 0.9550(3) 0.6874(2) 0.0663(9) Uani 1 1 d .
O1 O 0.6116(11) 0.4827(10) 0.9361(7) 0.136(5) Uani 1 1 d DU
H1 H 0.5964 0.4298 0.9510 0.205 Uiso 1 1 calc R
O2 O 0.4614(8) 0.3394(6) 0.8155(5) 0.068(3) Uani 1 1 d .
H2 H 0.4888 0.3858 0.8536 0.102 Uiso 1 1 calc R
C15 C 0.5501(11) 0.7850(14) 1.0020(7) 0.092(6) Uani 1 1 d .
H15A H 0.6108 0.7571 0.9884 0.138 Uiso 1 1 calc R
H15B H 0.5470 0.7852 1.0564 0.138 Uiso 1 1 calc R
H15C H 0.5568 0.8527 0.9940 0.138 Uiso 1 1 calc R
O4 O 0.2412(8) 0.8962(9) 0.7128(8) 0.117(5) Uani 1 1 d .
O5 O 0.1088(8) 0.9829(7) 0.7443(5) 0.075(3) Uani 1 1 d .
O6 O 0.2212(10) 1.0435(10) 0.6711(7) 0.127(5) Uani 1 1 d .
O7 O 0.0963(8) 0.8944(8) 0.6215(6) 0.092(3) Uani 1 1 d .
O8 O 1.061(2) 1.310(2) 0.8614(13) 0.246(11) Uani 1 1 d DU
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'
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'
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'
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
C2 C1 Au1 177.1(10) .
C2 C1 Ag1 91.0(9) .
Au1 C1 Ag1 90.6(4) .
C1 C2 C7 172.1(16) .
C1 C2 Ag1 62.9(8) .
C7 C2 Ag1 114.4(10) .
C4 C3 Au2 176.4(9) .
C4 C3 Ag1 95.4(7) .
Au2 C3 Ag1 84.0(4) .
C3 C4 C10 177.8(11) .
C6 C5 Au3 174.3(9) .
C6 C5 Ag1 85.5(7) .
Au3 C5 Ag1 93.7(4) .
C5 C6 C13 173.3(12) .
C5 C6 Ag1 66.5(7) .
C13 C6 Ag1 120.2(9) .
C9 C7 C2 114.0(16) .
C9 C7 C8 117.5(16) .
C2 C7 C8 113.3(14) .
C9 C7 O1 97.1(14) .
C2 C7 O1 105.5(14) .
C8 C7 O1 107.0(14) .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C7 C9 H9A 109.5 .
C7 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C7 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
O2 C10 C4 112.1(9) .
O2 C10 C11 112.6(10) .
C4 C10 C11 108.2(9) .
O2 C10 C12 104.0(10) .
C4 C10 C12 109.4(9) .
C11 C10 C12 110.5(9) .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C14 C13 C6 111.1(12) .
C14 C13 O3 104.9(14) .
C6 C13 O3 108.0(12) .
C14 C13 C15 112.3(13) .
C6 C13 C15 110.1(11) .
O3 C13 C15 110.2(14) .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 O3 H3 109.5 .
C21 C16 C17 116.3(10) .
C21 C16 P1 119.6(9) .
C17 C16 P1 123.7(9) .
C18 C17 C16 124.5(13) .
C18 C17 H17 117.8 .
C16 C17 H17 117.8 .
C19 C18 C17 117.3(13) .
C19 C18 H18 121.3 .
C17 C18 H18 121.3 .
C18 C19 C20 121.2(12) .
C18 C19 H19 119.4 .
C20 C19 H19 119.4 .
C19 C20 C21 121.0(13) .
C19 C20 H20 119.5 .
C21 C20 H20 119.5 .
C16 C21 C20 119.8(13) .
C16 C21 H21 120.1 .
C20 C21 H21 120.1 .
C27 C22 C23 119.4(10) .
C27 C22 P1 120.0(8) .
C23 C22 P1 120.6(8) .
C24 C23 C22 121.6(11) .
C24 C23 H23 119.2 .
C22 C23 H23 119.2 .
C25 C24 C23 117.9(13) .
C25 C24 H24 121.1 .
C23 C24 H24 121.1 .
C24 C25 C26 121.4(11) .
C24 C25 H25 119.3 .
C26 C25 H25 119.3 .
C25 C26 C27 120.0(12) .
C25 C26 H26 120.0 .
C27 C26 H26 120.0 .
C22 C27 C26 119.7(11) .
C22 C27 H27 120.1 .
C26 C27 H27 120.1 .
C29 C28 C33 119.4(10) .
C29 C28 P2 120.3(8) .
C33 C28 P2 120.0(9) .
C28 C29 C30 119.5(12) .
C28 C29 H29 120.3 .
C30 C29 H29 120.3 .
C31 C30 C29 120.3(13) .
C31 C30 H30 119.8 .
C29 C30 H30 119.8 .
C30 C31 C32 121.0(11) .
C30 C31 H31 119.5 .
C32 C31 H31 119.5 .
C33 C32 C31 119.3(12) .
C33 C32 H32 120.3 .
C31 C32 H32 120.3 .
C32 C33 C28 120.4(12) .
C32 C33 H33 119.8 .
C28 C33 H33 119.8 .
C39 C34 C35 118.6(11) .
C39 C34 P2 123.2(9) .
C35 C34 P2 118.2(10) .
C36 C35 C34 121.9(15) .
C36 C35 H35 119.0 .
C34 C35 H35 119.0 .
C35 C36 C37 118.9(15) .
C35 C36 H36 120.5 .
C37 C36 H36 120.5 .
C38 C37 C36 120.7(13) .
C38 C37 H37 119.7 .
C36 C37 H37 119.7 .
C37 C38 C39 120.1(16) .
C37 C38 H38 120.0 .
C39 C38 H38 120.0 .
C34 C39 C38 119.6(14) .
C34 C39 H39 120.2 .
C38 C39 H39 120.2 .
C45 C40 C41 120.2(10) .
C45 C40 P3 121.6(8) .
C41 C40 P3 118.2(8) .
C40 C41 C42 118.7(11) .
C40 C41 H41 120.7 .
C42 C41 H41 120.7 .
C43 C42 C41 120.8(11) .
C43 C42 H42 119.6 .
C41 C42 H42 119.6 .
C44 C43 C42 121.3(12) .
C44 C43 H43 119.3 .
C42 C43 H43 119.3 .
C43 C44 C45 118.7(12) .
C43 C44 H44 120.6 .
C45 C44 H44 120.6 .
C40 C45 C44 120.2(11) .
C40 C45 H45 119.9 .
C44 C45 H45 119.9 .
C51 C46 C47 118.5(9) .
C51 C46 P3 121.9(7) .
C47 C46 P3 119.6(7) .
C46 C47 C48 119.5(10) .
C46 C47 H47 120.3 .
C48 C47 H47 120.3 .
C49 C48 C47 120.2(11) .
C49 C48 H48 119.9 .
C47 C48 H48 119.9 .
C50 C49 C48 120.3(10) .
C50 C49 H49 119.8 .
C48 C49 H49 119.8 .
C49 C50 C51 120.3(10) .
C49 C50 H50 119.9 .
C51 C50 H50 119.9 .
C50 C51 C46 121.2(9) .
C50 C51 H51 119.4 .
C46 C51 H51 119.4 .
C53 C52 P1 114.9(8) .
C53 C52 H52A 108.5 .
P1 C52 H52A 108.5 .
C53 C52 H52B 108.5 .
P1 C52 H52B 108.5 .
H52A C52 H52B 107.5 .
C54 C53 C52 117.0(9) .
C54 C53 H53A 108.1 .
C52 C53 H53A 108.1 .
C54 C53 H53B 108.1 .
C52 C53 H53B 108.1 .
H53A C53 H53B 107.3 .
C55 C54 C53 111.6(9) .
C55 C54 H54A 109.3 .
C53 C54 H54A 109.3 .
C55 C54 H54B 109.3 .
C53 C54 H54B 109.3 .
H54A C54 H54B 108.0 .
C54 C55 P2 114.6(7) .
C54 C55 H55A 108.6 .
P2 C55 H55A 108.6 .
C54 C55 H55B 108.6 .
P2 C55 H55B 108.6 .
H55A C55 H55B 107.6 .
C57 C56 P3 111.0(6) .
C57 C56 H56A 109.4 .
P3 C56 H56A 109.4 .
C57 C56 H56B 109.4 .
P3 C56 H56B 109.4 .
H56A C56 H56B 108.0 .
C57 C57 C56 111.6(10) 2_666
C57 C57 H57A 109.3 2_666
C56 C57 H57A 109.3 .
C57 C57 H57B 109.3 2_666
C56 C57 H57B 109.3 .
H57A C57 H57B 108.0 .
C60 C58 H58A 109.5 .
C60 C58 H58B 109.5 .
H58A C58 H58B 109.5 .
C60 C58 H58C 109.5 .
H58A C58 H58C 109.5 .
H58B C58 H58C 109.5 .
C60 C59 H59A 109.5 .
C60 C59 H59B 109.5 .
H59A C59 H59B 109.5 .
C60 C59 H59C 109.5 .
H59A C59 H59C 109.5 .
H59B C59 H59C 109.5 .
C58 C60 O8 107.2(17) .
C58 C60 C59 139(3) .
O8 C60 C59 113.3(16) .
C16 P1 C52 106.8(5) .
C16 P1 C22 105.2(5) .
C52 P1 C22 104.5(5) .
C16 P1 Au1 110.8(4) .
C52 P1 Au1 114.2(3) .
C22 P1 Au1 114.7(4) .
C34 P2 C28 106.1(5) .
C34 P2 C55 108.3(6) .
C28 P2 C55 101.9(4) .
C34 P2 Au2 111.5(4) .
C28 P2 Au2 112.7(4) .
C55 P2 Au2 115.5(4) .
C46 P3 C40 105.0(4) .
C46 P3 C56 104.6(4) .
C40 P3 C56 106.4(5) .
C46 P3 Au3 114.4(3) .
C40 P3 Au3 114.2(3) .
C56 P3 Au3 111.4(3) .
C5 Ag1 C1 129.6(4) .
C5 Ag1 C3 115.4(3) .
C1 Ag1 C3 114.3(3) .
C5 Ag1 C6 28.0(3) .
C1 Ag1 C6 111.1(4) .
C3 Ag1 C6 132.6(3) .
C5 Ag1 C2 144.0(4) .
C1 Ag1 C2 26.2(3) .
C3 Ag1 C2 98.4(4) .
C6 Ag1 C2 117.4(4) .
C5 Ag1 Au2 125.4(2) .
C1 Ag1 Au2 87.4(2) .
C3 Ag1 Au2 42.7(3) .
C6 Ag1 Au2 153.3(2) .
C2 Ag1 Au2 87.8(3) .
C5 Ag1 Au1 97.5(2) .
C1 Ag1 Au1 39.9(3) .
C3 Ag1 Au1 131.3(3) .
C6 Ag1 Au1 93.1(3) .
C2 Ag1 Au1 66.1(3) .
Au2 Ag1 Au1 89.26(2) .
C5 Ag1 Au3 39.1(2) .
C1 Ag1 Au3 136.6(3) .
C3 Ag1 Au3 88.5(2) .
C6 Ag1 Au3 67.1(2) .
C2 Ag1 Au3 162.3(3) .
Au2 Ag1 Au3 86.27(3) .
Au1 Ag1 Au3 97.12(3) .
C1 Au1 P1 177.1(3) .
C1 Au1 Ag1 49.5(3) .
P1 Au1 Ag1 133.39(7) .
C3 Au2 P2 177.2(3) .
C3 Au2 Ag1 53.3(3) .
P2 Au2 Ag1 126.17(7) .
C5 Au3 P3 178.9(3) .
C5 Au3 Ag1 47.2(3) .
P3 Au3 Ag1 131.85(6) .
O4 Cl1 O5 111.2(8) .
O4 Cl1 O6 112.4(8) .
O5 Cl1 O6 107.2(7) .
O4 Cl1 O7 107.5(7) .
O5 Cl1 O7 105.9(6) .
O6 Cl1 O7 112.6(8) .
C7 O1 H1 109.5 .
C10 O2 H2 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.175(15) .
C1 Au1 2.001(12) .
C1 Ag1 2.371(10) .
C2 C7 1.47(2) .
C2 Ag1 2.664(14) .
C3 C4 1.194(14) .
C3 Au2 2.018(11) .
C3 Ag1 2.388(10) .
C4 C10 1.493(15) .
C5 C6 1.203(14) .
C5 Au3 2.018(10) .
C5 Ag1 2.347(9) .
C6 C13 1.461(16) .
C6 Ag1 2.551(11) .
C7 C9 1.41(2) .
C7 C8 1.49(2) .
C7 O1 1.598(16) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 O2 1.414(13) .
C10 C11 1.508(15) .
C10 C12 1.546(15) .
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 1.45(2) .
C13 O3 1.480(19) .
C13 C15 1.506(19) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
O3 H3 0.8400 .
C16 C21 1.370(16) .
C16 C17 1.384(17) .
C16 P1 1.794(11) .
C17 C18 1.378(17) .
C17 H17 0.9500 .
C18 C19 1.346(18) .
C18 H18 0.9500 .
C19 C20 1.353(19) .
C19 H19 0.9500 .
C20 C21 1.401(17) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C27 1.370(15) .
C22 C23 1.390(15) .
C22 P1 1.820(10) .
C23 C24 1.389(15) .
C23 H23 0.9500 .
C24 C25 1.369(18) .
C24 H24 0.9500 .
C25 C26 1.383(18) .
C25 H25 0.9500 .
C26 C27 1.386(15) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.385(16) .
C28 C33 1.403(14) .
C28 P2 1.808(10) .
C29 C30 1.387(16) .
C29 H29 0.9500 .
C30 C31 1.359(19) .
C30 H30 0.9500 .
C31 C32 1.386(19) .
C31 H31 0.9500 .
C32 C33 1.365(15) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C39 1.382(17) .
C34 C35 1.386(17) .
C34 P2 1.797(11) .
C35 C36 1.367(18) .
C35 H35 0.9500 .
C36 C37 1.38(2) .
C36 H36 0.9500 .
C37 C38 1.37(2) .
C37 H37 0.9500 .
C38 C39 1.397(16) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C45 1.380(14) .
C40 C41 1.387(13) .
C40 P3 1.816(10) .
C41 C42 1.389(16) .
C41 H41 0.9500 .
C42 C43 1.366(17) .
C42 H42 0.9500 .
C43 C44 1.362(16) .
C43 H43 0.9500 .
C44 C45 1.404(15) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C51 1.386(13) .
C46 C47 1.387(13) .
C46 P3 1.813(9) .
C47 C48 1.391(15) .
C47 H47 0.9500 .
C48 C49 1.373(16) .
C48 H48 0.9500 .
C49 C50 1.350(15) .
C49 H49 0.9500 .
C50 C51 1.364(14) .
C50 H50 0.9500 .
C51 H51 0.9500 .
C52 C53 1.540(15) .
C52 P1 1.816(11) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.528(16) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.512(13) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 P2 1.826(11) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 C57 1.526(13) .
C56 P3 1.817(9) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C57 1.516(17) 2_666
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 C60 1.334(16) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.369(16) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 O8 1.36(3) .
P1 Au1 2.278(3) .
P2 Au2 2.262(3) .
P3 Au3 2.271(3) .
Ag1 Au2 2.9605(9) .
Ag1 Au1 3.1191(9) .
Ag1 Au3 3.1918(10) .
Cl1 O4 1.417(12) .
Cl1 O5 1.418(9) .
Cl1 O6 1.425(12) .
Cl1 O7 1.440(10) .
O1 H1 0.8400 .
O2 H2 0.8400 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
