#------------------------------------------------------------------------------
#$Date: 2020-04-22 22:59:06 +0300 (Wed, 22 Apr 2020) $
#$Revision: 251037 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/47/4134769.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_4134769
loop_
_publ_author_name
'Zeman, Charles J.'
'Shen, Yu-Hsuan'
'Heller, Jessica'
'Abboud, Khalil A.'
'Schanze, Kirk S.'
'Veige, Adam S.'
_publ_section_title
;
 Excited State Turn-On of Aurophilicity and Tunability of Relativistic
 Effects in a Series of Digold Triazolates Synthesized via iClick.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c01624
_journal_year                    2020
_chemical_formula_sum            'C49 H46 Au2 Cl6 N4 P2'
_chemical_formula_weight         1359.47
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-06-05 # Formatted by publCIF

;
_cell_angle_alpha                108.3241(13)
_cell_angle_beta                 110.0928(11)
_cell_angle_gamma                91.3270(13)
_cell_formula_units_Z            2
_cell_length_a                   11.3232(5)
_cell_length_b                   14.8436(6)
_cell_length_c                   15.9362(7)
_cell_measurement_reflns_used    9503
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      41.10
_cell_measurement_theta_min      2.78
_cell_volume                     2361.95(18)
_computing_cell_refinement       'Bruker APEX3 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2014)'
_computing_data_reduction        'Bruker Apex3 SAINT (Bruker, 2014)'
_computing_molecular_graphics    'XP in SHELXTL-plus, Bruker 2014'
_computing_publication_material  'SHELXL2014/7, Sheldrick, G. M. 2014'
_computing_structure_refinement  'SHELXL2014/7, Sheldrick G. M. 2014'
_computing_structure_solution    'SHELXL2014/7, Sheldrick G. M. 2014'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0113
_diffrn_reflns_Laue_measured_fraction_full 0.996
_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       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            138984
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.300
_diffrn_source                   'I\mS microsource 3.0'
_exptl_absorpt_coefficient_mu    6.652
_exptl_absorpt_correction_T_max  0.6370
_exptl_absorpt_correction_T_min  0.3879
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'Sheldrick, G. M., sadabs (2014). Acta Cryst. C71, 3--8.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_description       block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.193
_exptl_crystal_size_min          0.103
_exptl_transmission_factor_max   0.7482
_exptl_transmission_factor_min   0.6033
_refine_diff_density_max         4.799
_refine_diff_density_min         -1.861
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         10827
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0239P)²+12.6167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0673
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10235
_reflns_number_total             10827
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c01624_si_002.cif
_cod_data_source_block           shen2
_cod_database_code               4134769
_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. 
;
_shelx_estimated_absorpt_t_min   0.225
_shelx_estimated_absorpt_t_max   0.547
_publcif_funding_html
;
;
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 1.28482(2) -1.09467(2) 0.73214(2) 0.01697(4) Uani 1 1 d . . . . .
Au2 Au 1.13043(2) -1.23940(2) 0.83051(2) 0.02013(4) Uani 1 1 d . . . . .
P1 P 1.48486(8) -1.08890(7) 0.72847(6) 0.01599(17) Uani 1 1 d . . . . .
P2 P 1.22614(9) -1.30667(7) 0.93886(7) 0.02150(19) Uani 1 1 d . . . . .
N1 N 1.0442(3) -1.1636(2) 0.7470(2) 0.0201(6) Uani 1 1 d . . . . .
N2 N 0.9199(3) -1.1532(3) 0.7291(3) 0.0262(7) Uani 1 1 d . . . . .
N3 N 0.8952(3) -1.0841(3) 0.6930(3) 0.0262(7) Uani 1 1 d . . . . .
N4 N 1.0058(4) -0.7407(3) 0.5457(3) 0.0340(8) Uani 1 1 d . . . . .
C1 C 1.1015(3) -1.0996(3) 0.7226(3) 0.0208(7) Uani 1 1 d . . . . .
C2 C 1.0038(3) -1.0488(3) 0.6875(3) 0.0211(7) Uani 1 1 d . . . . .
C3 C 1.0047(4) -0.9708(3) 0.6498(3) 0.0223(8) Uani 1 1 d . . . . .
C4 C 1.1134(4) -0.9321(3) 0.6436(3) 0.0284(9) Uani 1 1 d . . . . .
H4A H 1.188402 -0.957033 0.664107 0.034 Uiso 1 1 calc R U . . .
C5 C 1.1144(4) -0.8584(3) 0.6084(3) 0.0289(9) Uani 1 1 d . . . . .
H5A H 1.189164 -0.835551 0.604923 0.035 Uiso 1 1 calc R U . . .
C6 C 1.0039(4) -0.8174(3) 0.5776(3) 0.0272(8) Uani 1 1 d . . . . .
C7 C 0.8948(4) -0.8550(3) 0.5836(3) 0.0304(9) Uani 1 1 d . . . . .
H7A H 0.819976 -0.829649 0.563991 0.037 Uiso 1 1 calc R U . . .
C8 C 0.8957(4) -0.9302(3) 0.6185(3) 0.0293(9) Uani 1 1 d . . . . .
H8A H 0.820775 -0.954054 0.620971 0.035 Uiso 1 1 calc R U . . .
C9 C 1.1098(5) -0.7212(4) 0.5168(4) 0.0388(11) Uani 1 1 d . . . . .
H9A H 1.090880 -0.674137 0.486123 0.058 Uiso 1 1 calc R U . . .
H9B H 1.120148 -0.779287 0.473292 0.058 Uiso 1 1 calc R U . . .
H9C H 1.186978 -0.697297 0.571786 0.058 Uiso 1 1 calc R U . . .
C10 C 0.8877(5) -0.7095(4) 0.5041(4) 0.0420(12) Uani 1 1 d . . . . .
H10A H 0.903144 -0.657495 0.483786 0.063 Uiso 1 1 calc R U . . .
H10B H 0.848663 -0.688298 0.550376 0.063 Uiso 1 1 calc R U . . .
H10C H 0.832056 -0.761795 0.450350 0.063 Uiso 1 1 calc R U . . .
C11 C 1.5106(3) -0.9978(3) 0.6795(3) 0.0185(7) Uani 1 1 d . . . . .
C12 C 1.6244(4) -0.9364(3) 0.7170(3) 0.0217(7) Uani 1 1 d . . . . .
H12A H 1.692555 -0.943238 0.766557 0.026 Uiso 1 1 calc R U . . .
C13 C 1.6368(4) -0.8645(3) 0.6803(3) 0.0254(8) Uani 1 1 d . . . . .
H13A H 1.712756 -0.822756 0.706115 0.030 Uiso 1 1 calc R U . . .
C14 C 1.5364(4) -0.8549(3) 0.6055(3) 0.0282(9) Uani 1 1 d . . . . .
H14A H 1.544923 -0.806701 0.581346 0.034 Uiso 1 1 calc R U . . .
C15 C 1.4225(4) -0.9176(3) 0.5664(3) 0.0292(9) Uani 1 1 d . . . . .
H15A H 1.355527 -0.911951 0.515401 0.035 Uiso 1 1 calc R U . . .
C16 C 1.4090(4) -0.9880(3) 0.6035(3) 0.0251(8) Uani 1 1 d . . . . .
H16A H 1.332504 -1.029084 0.578146 0.030 Uiso 1 1 calc R U . . .
C17 C 1.6160(3) -1.0613(3) 0.8416(3) 0.0170(7) Uani 1 1 d . . . . .
C18 C 1.5990(3) -1.0039(3) 0.9237(3) 0.0184(7) Uani 1 1 d . . . . .
H18A H 1.521930 -0.981343 0.919184 0.022 Uiso 1 1 calc R U . . .
C19 C 1.6963(4) -0.9805(3) 1.0116(3) 0.0201(7) Uani 1 1 d . . . . .
H19A H 1.684577 -0.941950 1.065906 0.024 Uiso 1 1 calc R U . . .
C20 C 1.8122(3) -1.0146(3) 1.0189(3) 0.0207(7) Uani 1 1 d . . . . .
H20A H 1.877071 -0.999595 1.078190 0.025 Uiso 1 1 calc R U . . .
C21 C 1.8302(3) -1.0710(3) 0.9374(3) 0.0217(7) Uani 1 1 d . . . . .
H21A H 1.907650 -1.093097 0.942097 0.026 Uiso 1 1 calc R U . . .
C22 C 1.7323(3) -1.0945(3) 0.8488(3) 0.0205(7) Uani 1 1 d . . . . .
H22A H 1.744457 -1.132229 0.794376 0.025 Uiso 1 1 calc R U . . .
C23 C 1.5055(3) -1.1993(3) 0.6479(3) 0.0190(7) Uani 1 1 d . . . . .
C24 C 1.4223(4) -1.2826(3) 0.6215(3) 0.0291(9) Uani 1 1 d . . . . .
H24A H 1.362587 -1.282610 0.649570 0.035 Uiso 1 1 calc R U . . .
C25 C 1.4289(5) -1.3662(3) 0.5526(4) 0.0391(11) Uani 1 1 d . . . . .
H25A H 1.371375 -1.421208 0.533303 0.047 Uiso 1 1 calc R U . . .
C26 C 1.5190(5) -1.3679(3) 0.5135(3) 0.0365(11) Uani 1 1 d . . . . .
H26A H 1.522762 -1.423949 0.467803 0.044 Uiso 1 1 calc R U . . .
C27 C 1.6042(5) -1.2872(3) 0.5413(3) 0.0310(9) Uani 1 1 d . . . . .
H27A H 1.666723 -1.289334 0.515486 0.037 Uiso 1 1 calc R U . . .
C28 C 1.5980(4) -1.2022(3) 0.6077(3) 0.0216(7) Uani 1 1 d . . . . .
H28A H 1.655150 -1.147459 0.625389 0.026 Uiso 1 1 calc R U . . .
C29 C 1.3916(4) -1.2543(3) 1.0049(3) 0.0218(7) Uani 1 1 d . . . . .
C30 C 1.4659(4) -1.2421(3) 0.9541(3) 0.0255(8) Uani 1 1 d . . . . .
H30A H 1.429831 -1.260000 0.888176 0.031 Uiso 1 1 calc R U . . .
C31 C 1.5935(4) -1.2032(3) 1.0016(3) 0.0274(8) Uani 1 1 d . . . . .
H31A H 1.643033 -1.196458 0.967330 0.033 Uiso 1 1 calc R U . . .
C32 C 1.6474(4) -1.1743(3) 1.1002(3) 0.0266(8) Uani 1 1 d . . . . .
H32A H 1.732478 -1.147236 1.132051 0.032 Uiso 1 1 calc R U . . .
C33 C 1.5740(4) -1.1861(3) 1.1508(3) 0.0270(8) Uani 1 1 d . . . . .
H33A H 1.609914 -1.166690 1.216778 0.032 Uiso 1 1 calc R U . . .
C34 C 1.4463(4) -1.2269(3) 1.1034(3) 0.0236(8) Uani 1 1 d . . . . .
H34A H 1.397914 -1.235766 1.137676 0.028 Uiso 1 1 calc R U . . .
C35 C 1.1494(4) -1.2866(3) 1.0247(3) 0.0236(8) Uani 1 1 d . . . . .
C36 C 1.1229(4) -1.1942(3) 1.0620(3) 0.0248(8) Uani 1 1 d . . . . .
H36A H 1.147309 -1.144954 1.044185 0.030 Uiso 1 1 calc R U . . .
C37 C 1.0604(4) -1.1756(3) 1.1254(3) 0.0283(9) Uani 1 1 d . . . . .
H37A H 1.044586 -1.113649 1.150865 0.034 Uiso 1 1 calc R U . . .
C38 C 1.0216(4) -1.2485(3) 1.1510(3) 0.0331(10) Uani 1 1 d . . . . .
H38A H 0.978155 -1.235992 1.192488 0.040 Uiso 1 1 calc R U . . .
C39 C 1.0478(5) -1.3408(4) 1.1143(4) 0.0400(11) Uani 1 1 d . . . . .
H39A H 1.022650 -1.389810 1.131951 0.048 Uiso 1 1 calc R U . . .
C40 C 1.1115(5) -1.3599(3) 1.0511(3) 0.0338(10) Uani 1 1 d . . . . .
H40A H 1.128693 -1.421573 1.026621 0.041 Uiso 1 1 calc R U . . .
C41 C 1.2287(4) -1.4336(3) 0.8949(3) 0.0227(8) Uani 1 1 d . . . . .
C42 C 1.1484(5) -1.4884(3) 0.8038(3) 0.0334(10) Uani 1 1 d . . . . .
H42A H 1.092458 -1.459417 0.765846 0.040 Uiso 1 1 calc R U . . .
C43 C 1.1506(5) -1.5868(3) 0.7686(3) 0.0366(10) Uani 1 1 d . . . . .
H43A H 1.096113 -1.623057 0.707270 0.044 Uiso 1 1 calc R U . . .
C44 C 1.2326(4) -1.6302(3) 0.8237(3) 0.0318(9) Uani 1 1 d . . . . .
H44A H 1.233283 -1.695842 0.799764 0.038 Uiso 1 1 calc R U . . .
C45 C 1.3139(4) -1.5772(3) 0.9143(4) 0.0339(10) Uani 1 1 d . . . . .
H45A H 1.369251 -1.607082 0.951510 0.041 Uiso 1 1 calc R U . . .
C46 C 1.3134(4) -1.4792(3) 0.9502(3) 0.0318(9) Uani 1 1 d . . . . .
H46A H 1.369349 -1.443445 1.011164 0.038 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'
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
C1 Au1 P1 174.58(11) . . ?
N1 Au2 P2 172.50(9) . . ?
C23 P1 C17 107.33(17) . . ?
C23 P1 C11 104.09(17) . . ?
C17 P1 C11 106.13(17) . . ?
C23 P1 Au1 112.09(12) . . ?
C17 P1 Au1 116.56(12) . . ?
C11 P1 Au1 109.76(12) . . ?
C41 P2 C29 104.79(18) . . ?
C41 P2 C35 106.57(19) . . ?
C29 P2 C35 106.86(18) . . ?
C41 P2 Au2 116.57(14) . . ?
C29 P2 Au2 111.73(14) . . ?
C35 P2 Au2 109.75(14) . . ?
N2 N1 C1 110.4(3) . . ?
N2 N1 Au2 120.5(3) . . ?
C1 N1 Au2 127.1(3) . . ?
N3 N2 N1 108.4(3) . . ?
N2 N3 C2 108.6(3) . . ?
C6 N4 C10 118.6(4) . . ?
C6 N4 C9 119.0(4) . . ?
C10 N4 C9 117.2(4) . . ?
N1 C1 C2 104.1(3) . . ?
N1 C1 Au1 123.4(3) . . ?
C2 C1 Au1 132.4(3) . . ?
N3 C2 C1 108.4(4) . . ?
N3 C2 C3 120.8(3) . . ?
C1 C2 C3 130.8(3) . . ?
C8 C3 C4 115.9(4) . . ?
C8 C3 C2 121.4(4) . . ?
C4 C3 C2 122.7(4) . . ?
C5 C4 C3 122.8(4) . . ?
C5 C4 H4A 118.6 . . ?
C3 C4 H4A 118.6 . . ?
C4 C5 C6 120.8(4) . . ?
C4 C5 H5A 119.6 . . ?
C6 C5 H5A 119.6 . . ?
N4 C6 C7 121.9(4) . . ?
N4 C6 C5 121.0(4) . . ?
C7 C6 C5 117.1(4) . . ?
C6 C7 C8 121.1(4) . . ?
C6 C7 H7A 119.5 . . ?
C8 C7 H7A 119.5 . . ?
C3 C8 C7 122.4(4) . . ?
C3 C8 H8A 118.8 . . ?
C7 C8 H8A 118.8 . . ?
N4 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N4 C10 H10A 109.5 . . ?
N4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 119.6(4) . . ?
C12 C11 P1 122.3(3) . . ?
C16 C11 P1 118.0(3) . . ?
C11 C12 C13 120.0(4) . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C13 C14 C15 120.0(4) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C11 120.1(4) . . ?
C15 C16 H16A 119.9 . . ?
C11 C16 H16A 119.9 . . ?
C22 C17 C18 119.6(3) . . ?
C22 C17 P1 122.3(3) . . ?
C18 C17 P1 118.1(3) . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 120.1(3) . . ?
C18 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C21 C20 C19 119.9(3) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C21 C22 C17 120.1(3) . . ?
C21 C22 H22A 120.0 . . ?
C17 C22 H22A 120.0 . . ?
C24 C23 C28 119.1(4) . . ?
C24 C23 P1 118.8(3) . . ?
C28 C23 P1 122.0(3) . . ?
C23 C24 C25 119.7(4) . . ?
C23 C24 H24A 120.2 . . ?
C25 C24 H24A 120.2 . . ?
C26 C25 C24 120.6(4) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C25 C26 C27 120.1(4) . . ?
C25 C26 H26A 119.9 . . ?
C27 C26 H26A 119.9 . . ?
C26 C27 C28 120.7(4) . . ?
C26 C27 H27A 119.7 . . ?
C28 C27 H27A 119.7 . . ?
C27 C28 C23 119.8(4) . . ?
C27 C28 H28A 120.1 . . ?
C23 C28 H28A 120.1 . . ?
C34 C29 C30 119.4(4) . . ?
C34 C29 P2 122.4(3) . . ?
C30 C29 P2 118.2(3) . . ?
C31 C30 C29 120.2(4) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C30 C31 C32 120.2(4) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C33 C32 C31 119.7(4) . . ?
C33 C32 H32A 120.1 . . ?
C31 C32 H32A 120.1 . . ?
C32 C33 C34 120.4(4) . . ?
C32 C33 H33A 119.8 . . ?
C34 C33 H33A 119.8 . . ?
C29 C34 C33 120.0(4) . . ?
C29 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C40 C35 C36 119.5(4) . . ?
C40 C35 P2 122.7(3) . . ?
C36 C35 P2 117.8(3) . . ?
C37 C36 C35 120.2(4) . . ?
C37 C36 H36A 119.9 . . ?
C35 C36 H36A 119.9 . . ?
C38 C37 C36 120.4(4) . . ?
C38 C37 H37A 119.8 . . ?
C36 C37 H37A 119.8 . . ?
C37 C38 C39 119.7(4) . . ?
C37 C38 H38A 120.1 . . ?
C39 C38 H38A 120.1 . . ?
C38 C39 C40 120.2(5) . . ?
C38 C39 H39A 119.9 . . ?
C40 C39 H39A 119.9 . . ?
C35 C40 C39 120.0(4) . . ?
C35 C40 H40A 120.0 . . ?
C39 C40 H40A 120.0 . . ?
C42 C41 C46 118.5(4) . . ?
C42 C41 P2 119.9(3) . . ?
C46 C41 P2 121.6(3) . . ?
C41 C42 C43 120.4(4) . . ?
C41 C42 H42A 119.8 . . ?
C43 C42 H42A 119.8 . . ?
C44 C43 C42 120.3(4) . . ?
C44 C43 H43A 119.8 . . ?
C42 C43 H43A 119.8 . . ?
C43 C44 C45 120.3(4) . . ?
C43 C44 H44A 119.8 . . ?
C45 C44 H44A 119.8 . . ?
C44 C45 C46 120.0(4) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C45 C46 C41 120.4(4) . . ?
C45 C46 H46A 119.8 . . ?
C41 C46 H46A 119.8 . . ?
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 C1 2.027(4) . ?
Au1 P1 2.2861(9) . ?
Au2 N1 2.022(3) . ?
Au2 P2 2.2364(11) . ?
P1 C23 1.814(4) . ?
P1 C17 1.815(4) . ?
P1 C11 1.823(4) . ?
P2 C41 1.797(4) . ?
P2 C29 1.813(4) . ?
P2 C35 1.814(4) . ?
N1 N2 1.359(4) . ?
N1 C1 1.361(5) . ?
N2 N3 1.318(5) . ?
N3 C2 1.367(5) . ?
N4 C6 1.388(6) . ?
N4 C10 1.434(6) . ?
N4 C9 1.458(6) . ?
C1 C2 1.408(5) . ?
C2 C3 1.463(6) . ?
C3 C8 1.392(6) . ?
C3 C4 1.393(6) . ?
C4 C5 1.379(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.407(6) . ?
C5 H5A 0.9300 . ?
C6 C7 1.388(6) . ?
C7 C8 1.393(7) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.387(5) . ?
C11 C16 1.404(5) . ?
C12 C13 1.394(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.383(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.395(6) . ?
C14 H14A 0.9300 . ?
C15 C16 1.382(6) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 C22 1.397(5) . ?
C17 C18 1.398(5) . ?
C18 C19 1.382(5) . ?
C18 H18A 0.9300 . ?
C19 C20 1.398(5) . ?
C19 H19A 0.9300 . ?
C20 C21 1.392(5) . ?
C20 H20A 0.9300 . ?
C21 C22 1.393(5) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C24 1.394(6) . ?
C23 C28 1.397(5) . ?
C24 C25 1.399(6) . ?
C24 H24A 0.9300 . ?
C25 C26 1.363(7) . ?
C25 H25A 0.9300 . ?
C26 C27 1.371(7) . ?
C26 H26A 0.9300 . ?
C27 C28 1.391(6) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C34 1.389(6) . ?
C29 C30 1.397(6) . ?
C30 C31 1.389(6) . ?
C30 H30A 0.9300 . ?
C31 C32 1.390(6) . ?
C31 H31A 0.9300 . ?
C32 C33 1.383(6) . ?
C32 H32A 0.9300 . ?
C33 C34 1.396(6) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
C35 C40 1.389(6) . ?
C35 C36 1.399(6) . ?
C36 C37 1.386(6) . ?
C36 H36A 0.9300 . ?
C37 C38 1.382(7) . ?
C37 H37A 0.9300 . ?
C38 C39 1.393(7) . ?
C38 H38A 0.9300 . ?
C39 C40 1.394(7) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C41 C42 1.382(6) . ?
C41 C46 1.407(6) . ?
C42 C43 1.395(6) . ?
C42 H42A 0.9300 . ?
C43 C44 1.368(7) . ?
C43 H43A 0.9300 . ?
C44 C45 1.375(7) . ?
C44 H44A 0.9300 . ?
C45 C46 1.386(6) . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
loop_
_publcif_info_cif.paper_type
?
