#------------------------------------------------------------------------------
#$Date: 2022-10-12 02:04:30 +0300 (Wed, 12 Oct 2022) $
#$Revision: 278536 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711462.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_7711462
loop_
_publ_author_name
'de Aquino, Araceli'
'Caparrós, Francisco J.'
'Aullón, Gabriel'
'Truong, Khai-Nghi'
'Rissanen, Kari'
'Lima, João Carlos'
'Rodríguez, Laura'
_publ_section_title
;
 Development of gold(i) phosphorescent tweezers for sensing applications
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02515A
_journal_year                    2022
_chemical_formula_moiety         'C58 H46 Au2 P2, C3 H6 O'
_chemical_formula_sum            'C61 H52 Au2 O P2'
_chemical_formula_weight         1256.90
_chemical_name_systematic        C7
_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-2017/1
_audit_update_record
;
2022-08-02 deposited with the CCDC.	2022-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                98.2270(10)
_cell_angle_beta                 95.3860(10)
_cell_angle_gamma                117.227(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4012(2)
_cell_length_b                   12.0453(3)
_cell_length_c                   22.9156(7)
_cell_measurement_reflns_used    8014
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.700
_cell_measurement_theta_min      0.407
_cell_volume                     2723.76(13)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2015)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0848
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            22153
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.250
_diffrn_reflns_theta_min         1.945
_exptl_absorpt_coefficient_mu    5.477
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.5684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.250
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         10958
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0449
_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)+(0.0041P)²+2.2430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0905
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7711
_reflns_number_total             10958
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02515a2.cif
_cod_data_source_block           2
_cod_database_code               7711462
_shelx_shelxl_version_number     2017/1
_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   0.309
_shelx_estimated_absorpt_t_max   0.353
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
Au1 Au 1.01179(3) 0.70958(3) 0.78417(2) 0.03961(9) Uani 1 1 d . . . . .
Au2 Au 0.30259(2) 0.24254(2) 0.50390(2) 0.03260(8) Uani 1 1 d . . . . .
P1 P 0.92324(17) 0.79470(17) 0.72252(8) 0.0370(4) Uani 1 1 d . . . . .
P2 P 0.32071(16) 0.42526(16) 0.55848(7) 0.0303(4) Uani 1 1 d . . . . .
C1 C 0.9424(8) 0.9449(6) 0.7629(3) 0.0451(18) Uani 1 1 d . . . . .
C2 C 1.0626(9) 1.0300(8) 0.7986(4) 0.074(3) Uani 1 1 d . . . . .
H2 H 1.134791 1.010938 0.800751 0.088 Uiso 1 1 calc R U . . .
C3 C 1.0805(12) 1.1438(9) 0.8317(4) 0.094(3) Uani 1 1 d . . . . .
H3 H 1.164336 1.201414 0.856867 0.113 Uiso 1 1 calc R U . . .
C4 C 0.9810(11) 1.1734(9) 0.8287(4) 0.087(2) Uani 1 1 d . . . . .
H4 H 0.995475 1.252491 0.851283 0.104 Uiso 1 1 calc R U . . .
C5 C 0.8580(10) 1.0914(7) 0.7934(3) 0.072(2) Uani 1 1 d . . . . .
H5 H 0.787042 1.112256 0.791900 0.086 Uiso 1 1 calc R U . . .
C6 C 0.8398(8) 0.9767(7) 0.7600(3) 0.058(2) Uani 1 1 d . . . . .
H6 H 0.755949 0.919578 0.734743 0.069 Uiso 1 1 calc R U . . .
C7 C 1.0072(6) 0.8342(6) 0.6590(3) 0.0351(15) Uani 1 1 d . . . . .
C8 C 0.9788(7) 0.9034(6) 0.6216(3) 0.0446(17) Uani 1 1 d . . . . .
H8 H 0.914852 0.931118 0.629111 0.054 Uiso 1 1 calc R U . . .
C9 C 1.0441(7) 0.9321(6) 0.5732(3) 0.0489(18) Uani 1 1 d . . . . .
H9 H 1.024507 0.978783 0.547314 0.059 Uiso 1 1 calc R U . . .
C10 C 1.1391(7) 0.8916(7) 0.5628(3) 0.055(2) Uani 1 1 d . . . . .
H10 H 1.185855 0.912716 0.530459 0.066 Uiso 1 1 calc R U . . .
C11 C 1.1642(7) 0.8229(7) 0.5987(3) 0.0499(19) Uani 1 1 d . . . . .
H11 H 1.226467 0.793338 0.590650 0.060 Uiso 1 1 calc R U . . .
C12 C 1.1000(6) 0.7948(6) 0.6472(3) 0.0428(17) Uani 1 1 d . . . . .
H12 H 1.120229 0.747760 0.672557 0.051 Uiso 1 1 calc R U . . .
C13 C 0.7442(6) 0.6974(6) 0.6926(3) 0.0367(16) Uani 1 1 d . . . . .
H13A H 0.694609 0.683766 0.726431 0.044 Uiso 1 1 calc R U . . .
H13B H 0.714827 0.744401 0.668078 0.044 Uiso 1 1 calc R U . . .
C14 C 0.7084(6) 0.5679(6) 0.6544(3) 0.0383(16) Uani 1 1 d . . . . .
H14A H 0.745558 0.524355 0.677686 0.046 Uiso 1 1 calc R U . . .
H14B H 0.750966 0.581405 0.618519 0.046 Uiso 1 1 calc R U . . .
C15 C 0.5564(6) 0.4808(6) 0.6342(3) 0.0381(16) Uani 1 1 d . . . . .
H15A H 0.513158 0.468243 0.669940 0.046 Uiso 1 1 calc R U . . .
H15B H 0.539489 0.396243 0.612463 0.046 Uiso 1 1 calc R U . . .
C16 C 0.4926(6) 0.5374(6) 0.5930(3) 0.0358(16) Uani 1 1 d . . . . .
H16A H 0.546213 0.564257 0.561180 0.043 Uiso 1 1 calc R U . . .
H16B H 0.495512 0.614234 0.616830 0.043 Uiso 1 1 calc R U . . .
C17 C 0.2284(6) 0.4035(6) 0.6199(3) 0.0317(14) Uani 1 1 d . . . . .
C18 C 0.1731(6) 0.2885(7) 0.6382(3) 0.0421(17) Uani 1 1 d . . . . .
H18 H 0.176174 0.217629 0.615530 0.050 Uiso 1 1 calc R U . . .
C19 C 0.1137(7) 0.2730(7) 0.6883(3) 0.049(2) Uani 1 1 d . . . . .
H19 H 0.078978 0.193960 0.700948 0.059 Uiso 1 1 calc R U . . .
C20 C 0.1059(7) 0.3759(7) 0.7198(3) 0.0482(19) Uani 1 1 d . . . . .
H20 H 0.064360 0.366930 0.754115 0.058 Uiso 1 1 calc R U . . .
C21 C 0.1573(7) 0.4905(7) 0.7020(3) 0.0492(19) Uani 1 1 d . . . . .
H21 H 0.151034 0.560028 0.723962 0.059 Uiso 1 1 calc R U . . .
C22 C 0.2188(7) 0.5054(6) 0.6518(3) 0.0407(17) Uani 1 1 d . . . . .
H22 H 0.254014 0.584747 0.639401 0.049 Uiso 1 1 calc R U . . .
C23 C 0.2667(6) 0.5131(6) 0.5149(3) 0.0295(14) Uani 1 1 d . . . . .
C24 C 0.3471(7) 0.6409(6) 0.5134(3) 0.0416(17) Uani 1 1 d . . . . .
H24 H 0.434862 0.686671 0.536820 0.050 Uiso 1 1 calc R U . . .
C25 C 0.3013(8) 0.7015(7) 0.4787(4) 0.051(2) Uani 1 1 d . . . . .
H25 H 0.357744 0.788696 0.478334 0.061 Uiso 1 1 calc R U . . .
C26 C 0.1744(8) 0.6377(7) 0.4444(3) 0.050(2) Uani 1 1 d . . . . .
H26 H 0.143923 0.679760 0.419677 0.060 Uiso 1 1 calc R U . . .
C27 C 0.0925(7) 0.5125(7) 0.4463(3) 0.0467(18) Uani 1 1 d . . . . .
H27 H 0.003728 0.469065 0.423931 0.056 Uiso 1 1 calc R U . . .
C28 C 0.1374(6) 0.4480(6) 0.4806(3) 0.0379(16) Uani 1 1 d . . . . .
H28 H 0.080660 0.360655 0.480624 0.046 Uiso 1 1 calc R U . . .
C29 C 1.0886(7) 0.6363(7) 0.8395(3) 0.0436(18) Uani 1 1 d . . . . .
C30 C 1.1250(7) 0.5855(7) 0.8722(3) 0.0469(18) Uani 1 1 d . . . . .
C31 C 1.1630(8) 0.5178(7) 0.9106(3) 0.050(2) Uani 1 1 d . . . . .
C32 C 1.0762(8) 0.4457(7) 0.9444(3) 0.053(2) Uani 1 1 d . . . . .
H32 H 0.993117 0.445958 0.944963 0.064 Uiso 1 1 calc R U . . .
C33 C 1.1080(9) 0.3724(8) 0.9777(3) 0.058(2) Uani 1 1 d . . . . .
C34 C 1.0231(10) 0.2807(8) 1.0144(4) 0.072(3) Uani 1 1 d . . . . .
H34A H 1.004434 0.326037 1.048774 0.086 Uiso 1 1 calc R U . . .
H34B H 0.937207 0.213010 0.989519 0.086 Uiso 1 1 calc R U . . .
C35 C 1.1115(10) 0.2265(9) 1.0350(4) 0.073(2) Uani 1 1 d . . . . .
C36 C 1.0861(12) 0.1339(9) 1.0699(4) 0.098(2) Uani 1 1 d . . . . .
H36 H 1.004465 0.096054 1.084554 0.117 Uiso 1 1 calc R U . . .
C37 C 1.1864(13) 0.0995(11) 1.0820(4) 0.108(2) Uani 1 1 d . . . . .
H37 H 1.173410 0.038567 1.106297 0.129 Uiso 1 1 calc R U . . .
C38 C 1.3053(12) 0.1530(9) 1.0592(4) 0.096(2) Uani 1 1 d . . . . .
H38 H 1.369819 0.125214 1.066947 0.116 Uiso 1 1 calc R U . . .
C39 C 1.3306(10) 0.2452(9) 1.0257(3) 0.077(2) Uani 1 1 d . . . . .
H39 H 1.412632 0.283242 1.011251 0.092 Uiso 1 1 calc R U . . .
C40 C 1.2320(10) 0.2808(8) 1.0137(3) 0.064(2) Uani 1 1 d . . . . .
C41 C 1.2309(8) 0.3729(7) 0.9783(3) 0.054(2) Uani 1 1 d . . . . .
C42 C 1.3224(8) 0.4473(7) 0.9464(3) 0.055(2) Uani 1 1 d . . . . .
H42 H 1.407146 0.449793 0.947722 0.066 Uiso 1 1 calc R U . . .
C43 C 1.2889(7) 0.5182(7) 0.9126(3) 0.0498(19) Uani 1 1 d . . . . .
H43 H 1.351150 0.568578 0.890056 0.060 Uiso 1 1 calc R U . . .
C44 C 0.3075(6) 0.0942(6) 0.4543(3) 0.0374(16) Uani 1 1 d . . . . .
C45 C 0.3267(6) 0.0194(6) 0.4215(3) 0.0343(15) Uani 1 1 d . . . . .
C46 C 0.3584(6) -0.0658(6) 0.3820(3) 0.0367(16) Uani 1 1 d . . . . .
C47 C 0.2641(7) -0.1607(6) 0.3360(3) 0.0397(17) Uani 1 1 d . . . . .
H47 H 0.174276 -0.175121 0.330119 0.048 Uiso 1 1 calc R U . . .
C48 C 0.3016(7) -0.2359(6) 0.2979(3) 0.0417(17) Uani 1 1 d . . . . .
C49 C 0.2194(7) -0.3447(7) 0.2460(3) 0.057(2) Uani 1 1 d . . . . .
H49A H 0.180248 -0.317543 0.214132 0.068 Uiso 1 1 calc R U . . .
H49B H 0.146385 -0.416267 0.258614 0.068 Uiso 1 1 calc R U . . .
C50 C 0.3225(7) -0.3824(7) 0.2247(3) 0.0461(18) Uani 1 1 d . . . . .
C51 C 0.3052(9) -0.4780(8) 0.1779(4) 0.065(2) Uani 1 1 d . . . . .
H51 H 0.219269 -0.532077 0.153747 0.078 Uiso 1 1 calc R U . . .
C52 C 0.4127(10) -0.4942(8) 0.1668(4) 0.068(2) Uani 1 1 d . . . . .
H52 H 0.401183 -0.562473 0.136268 0.082 Uiso 1 1 calc R U . . .
C53 C 0.5386(9) -0.4102(9) 0.2005(4) 0.066(2) Uani 1 1 d . . . . .
H53 H 0.613733 -0.418686 0.190836 0.079 Uiso 1 1 calc R U . . .
C54 C 0.5587(7) -0.3146(7) 0.2477(4) 0.057(2) Uani 1 1 d . . . . .
H54 H 0.645131 -0.259649 0.271239 0.068 Uiso 1 1 calc R U . . .
C55 C 0.4468(8) -0.3018(7) 0.2595(3) 0.0442(18) Uani 1 1 d . . . . .
C56 C 0.4348(8) -0.2118(7) 0.3078(3) 0.0442(18) Uani 1 1 d . . . . .
C57 C 0.5274(7) -0.1224(7) 0.3544(3) 0.0500(19) Uani 1 1 d . . . . .
H57 H 0.616170 -0.110799 0.361412 0.060 Uiso 1 1 calc R U . . .
C58 C 0.4893(7) -0.0486(7) 0.3913(3) 0.0457(18) Uani 1 1 d . . . . .
H58 H 0.553433 0.015463 0.423852 0.055 Uiso 1 1 calc R U . . .
O1 O 0.5210(8) 0.2146(7) 0.3047(4) 0.134(3) Uani 1 1 d . . . . .
C59 C 0.5296(11) 0.2460(12) 0.2065(5) 0.129(5) Uani 1 1 d . . . . .
H59A H 0.506912 0.313209 0.220797 0.193 Uiso 1 1 calc R U . . .
H59B H 0.458636 0.182187 0.173797 0.193 Uiso 1 1 calc R U . . .
H59C H 0.614797 0.283635 0.192009 0.193 Uiso 1 1 calc R U . . .
C60 C 0.5421(9) 0.1857(9) 0.2551(5) 0.077(3) Uani 1 1 d . . . . .
C61 C 0.5834(11) 0.0901(12) 0.2424(6) 0.130(4) Uani 1 1 d . . . . .
H61A H 0.678384 0.131084 0.238939 0.195 Uiso 1 1 calc R U . . .
H61B H 0.529533 0.030520 0.204647 0.195 Uiso 1 1 calc R U . . .
H61C H 0.570586 0.043341 0.274973 0.195 Uiso 1 1 calc R U . . .
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'
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'
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
C29 Au1 P1 178.96(17) . . ?
C44 Au2 P2 173.53(17) . . ?
C1 P1 C7 105.1(3) . . ?
C1 P1 C13 105.2(3) . . ?
C7 P1 C13 107.1(3) . . ?
C1 P1 Au1 109.9(2) . . ?
C7 P1 Au1 113.5(2) . . ?
C13 P1 Au1 115.3(2) . . ?
C16 P2 C23 104.7(3) . . ?
C16 P2 C17 104.9(3) . . ?
C23 P2 C17 105.3(3) . . ?
C16 P2 Au2 111.77(19) . . ?
C23 P2 Au2 114.2(2) . . ?
C17 P2 Au2 115.1(2) . . ?
C2 C1 C6 118.2(7) . . ?
C2 C1 P1 118.7(6) . . ?
C6 C1 P1 123.1(6) . . ?
C1 C2 C3 120.8(9) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 120.6(10) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 121.1(10) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 C6 118.4(9) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 121.0(8) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C12 C7 C8 119.0(6) . . ?
C12 C7 P1 119.9(5) . . ?
C8 C7 P1 121.0(5) . . ?
C9 C8 C7 120.0(6) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 119.5(7) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C11 C10 C9 120.0(7) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.6(7) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 120.8(7) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 P1 113.2(4) . . ?
C14 C13 H13A 108.9 . . ?
P1 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
P1 C13 H13B 108.9 . . ?
H13A C13 H13B 107.8 . . ?
C13 C14 C15 113.2(5) . . ?
C13 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 112.1(5) . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 P2 112.7(4) . . ?
C15 C16 H16A 109.1 . . ?
P2 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
P2 C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C22 118.7(6) . . ?
C18 C17 P2 121.1(4) . . ?
C22 C17 P2 120.2(5) . . ?
C19 C18 C17 122.2(6) . . ?
C19 C18 H18 118.9 . . ?
C17 C18 H18 118.9 . . ?
C18 C19 C20 118.2(7) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
C21 C20 C19 120.9(6) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 120.4(6) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C17 C22 C21 119.6(6) . . ?
C17 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C28 118.6(6) . . ?
C24 C23 P2 123.6(5) . . ?
C28 C23 P2 117.8(5) . . ?
C25 C24 C23 120.9(7) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C26 120.9(7) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C27 C26 C25 119.0(7) . . ?
C27 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
C26 C27 C28 121.2(7) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C27 C28 C23 119.4(6) . . ?
C27 C28 H28 120.3 . . ?
C23 C28 H28 120.3 . . ?
C30 C29 Au1 175.2(7) . . ?
C29 C30 C31 177.1(9) . . ?
C32 C31 C43 117.7(7) . . ?
C32 C31 C30 120.8(7) . . ?
C43 C31 C30 121.5(7) . . ?
C31 C32 C33 120.9(7) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
C32 C33 C41 120.3(7) . . ?
C32 C33 C34 129.0(8) . . ?
C41 C33 C34 110.6(7) . . ?
C35 C34 C33 102.1(7) . . ?
C35 C34 H34A 111.3 . . ?
C33 C34 H34A 111.3 . . ?
C35 C34 H34B 111.3 . . ?
C33 C34 H34B 111.3 . . ?
H34A C34 H34B 109.2 . . ?
C40 C35 C36 120.6(9) . . ?
C40 C35 C34 110.4(7) . . ?
C36 C35 C34 129.0(9) . . ?
C37 C36 C35 117.2(10) . . ?
C37 C36 H36 121.4 . . ?
C35 C36 H36 121.4 . . ?
C38 C37 C36 121.4(10) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C39 C38 C37 121.3(10) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C38 C39 C40 117.8(10) . . ?
C38 C39 H39 121.1 . . ?
C40 C39 H39 121.1 . . ?
C39 C40 C35 121.8(8) . . ?
C39 C40 C41 129.3(9) . . ?
C35 C40 C41 109.0(7) . . ?
C42 C41 C33 120.3(7) . . ?
C42 C41 C40 131.7(7) . . ?
C33 C41 C40 107.9(7) . . ?
C41 C42 C43 118.9(7) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C42 C43 C31 121.7(7) . . ?
C42 C43 H43 119.1 . . ?
C31 C43 H43 119.1 . . ?
C45 C44 Au2 169.9(6) . . ?
C44 C45 C46 176.5(7) . . ?
C47 C46 C58 119.5(6) . . ?
C47 C46 C45 121.9(5) . . ?
C58 C46 C45 118.6(6) . . ?
C46 C47 C48 119.5(6) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 H47 120.2 . . ?
C56 C48 C47 118.8(6) . . ?
C56 C48 C49 111.2(6) . . ?
C47 C48 C49 130.1(6) . . ?
C48 C49 C50 102.7(6) . . ?
C48 C49 H49A 111.2 . . ?
C50 C49 H49A 111.2 . . ?
C48 C49 H49B 111.2 . . ?
C50 C49 H49B 111.2 . . ?
H49A C49 H49B 109.1 . . ?
C55 C50 C51 121.0(6) . . ?
C55 C50 C49 109.4(6) . . ?
C51 C50 C49 129.5(7) . . ?
C52 C51 C50 119.5(8) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C51 C52 C53 119.4(7) . . ?
C51 C52 H52 120.3 . . ?
C53 C52 H52 120.3 . . ?
C54 C53 C52 122.3(7) . . ?
C54 C53 H53 118.9 . . ?
C52 C53 H53 118.9 . . ?
C53 C54 C55 117.5(7) . . ?
C53 C54 H54 121.3 . . ?
C55 C54 H54 121.3 . . ?
C50 C55 C54 120.3(6) . . ?
C50 C55 C56 109.5(6) . . ?
C54 C55 C56 130.3(7) . . ?
C57 C56 C48 122.4(6) . . ?
C57 C56 C55 130.5(6) . . ?
C48 C56 C55 107.1(7) . . ?
C56 C57 C58 118.1(6) . . ?
C56 C57 H57 120.9 . . ?
C58 C57 H57 120.9 . . ?
C57 C58 C46 121.6(7) . . ?
C57 C58 H58 119.2 . . ?
C46 C58 H58 119.2 . . ?
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 . . ?
O1 C60 C61 121.1(12) . . ?
O1 C60 C59 122.6(11) . . ?
C61 C60 C59 116.3(10) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
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
Au1 C29 1.993(7) . ?
Au1 P1 2.2716(17) . ?
Au2 C44 2.003(6) . ?
Au2 P2 2.2801(16) . ?
P1 C1 1.817(7) . ?
P1 C7 1.818(6) . ?
P1 C13 1.824(6) . ?
P2 C16 1.808(6) . ?
P2 C23 1.811(6) . ?
P2 C17 1.813(6) . ?
C1 C2 1.365(10) . ?
C1 C6 1.386(9) . ?
C2 C3 1.383(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.334(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.373(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.376(8) . ?
C7 C8 1.391(9) . ?
C8 C9 1.391(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.403(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.344(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.525(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.538(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.547(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.382(8) . ?
C17 C22 1.390(8) . ?
C18 C19 1.381(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.372(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.394(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.394(8) . ?
C23 C28 1.398(9) . ?
C24 C25 1.369(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.379(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.374(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.395(9) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.189(9) . ?
C30 C31 1.443(9) . ?
C31 C32 1.372(10) . ?
C31 C43 1.429(9) . ?
C32 C33 1.389(9) . ?
C32 H32 0.9500 . ?
C33 C41 1.396(10) . ?
C33 C34 1.519(11) . ?
C34 C35 1.504(11) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.397(12) . ?
C35 C36 1.404(11) . ?
C36 C37 1.401(13) . ?
C36 H36 0.9500 . ?
C37 C38 1.399(14) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(11) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.468(10) . ?
C41 C42 1.379(10) . ?
C42 C43 1.382(9) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.200(8) . ?
C45 C46 1.463(8) . ?
C46 C47 1.375(9) . ?
C46 C58 1.400(8) . ?
C47 C48 1.401(8) . ?
C47 H47 0.9500 . ?
C48 C56 1.399(9) . ?
C48 C49 1.495(9) . ?
C49 C50 1.536(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C55 1.376(10) . ?
C50 C51 1.383(9) . ?
C51 C52 1.366(10) . ?
C51 H51 0.9500 . ?
C52 C53 1.386(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.378(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.399(9) . ?
C54 H54 0.9500 . ?
C55 C56 1.496(8) . ?
C56 C57 1.354(10) . ?
C57 C58 1.380(8) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
O1 C60 1.218(11) . ?
C59 C60 1.444(13) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.435(13) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
