#------------------------------------------------------------------------------
#$Date: 2022-03-05 00:21:49 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/12/7061238.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_7061238
loop_
_publ_author_name
'Walg, Simon P.'
'Dietrich, Fabian'
'Grün, Anneken'
'Cayir Kücükdisli, Merve'
'Sun, Yu'
'Thiel, Werner R.'
'Gerhards, Markus'
_publ_section_title
;
 Synthesis and photophysical properties of multimetallic gold/zinc
 complexes of (P,N,N,N,P) and (P,N,N) ligands
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4062
_journal_page_last               4071
_journal_paper_doi               10.1039/D1NJ05806A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C23 H21 Au Cl N4 P'
_chemical_formula_weight         616.82
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2018-08-06 deposited with the CCDC.	2022-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                108.768(3)
_cell_angle_beta                 103.715(3)
_cell_angle_gamma                92.291(3)
_cell_formula_units_Z            4
_cell_length_a                   10.6195(4)
_cell_length_b                   12.3785(4)
_cell_length_c                   18.7756(5)
_cell_measurement_reflns_used    12300
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.3470
_cell_measurement_theta_min      3.3770
_cell_volume                     2252.05(14)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1399
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29506
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    6.739
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'transparent needle'
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.741
_refine_diff_density_min         -2.466
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         14731
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0350P)²+1.6472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0784
_reflns_number_gt                12774
_reflns_number_total             14731
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            d1nj05806a2.cif
_cod_data_source_block           13216o
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7061237--7061238.cif.
;
_cod_original_cell_volume        2252.05(13)
_cod_database_code               7061238
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4203(4) 0.5996(4) 0.1750(2) 0.0359(8) Uani 1 1 d . . .
H1 H 0.3573 0.6518 0.1738 0.043 Uiso 1 1 calc R . .
C2 C 0.4236(4) 0.5170(4) 0.1048(2) 0.0322(8) Uani 1 1 d . . .
H2 H 0.3646 0.5133 0.0571 0.039 Uiso 1 1 calc R . .
C3 C 0.5137(3) 0.4417(3) 0.1062(2) 0.0284(7) Uani 1 1 d . . .
H3 H 0.5187 0.3847 0.0593 0.034 Uiso 1 1 calc R . .
C4 C 0.5986(3) 0.4493(3) 0.17756(19) 0.0241(6) Uani 1 1 d . . .
H4 H 0.6607 0.3966 0.1802 0.029 Uiso 1 1 calc R . .
C5 C 0.5900(3) 0.5360(3) 0.24466(18) 0.0212(6) Uani 1 1 d . . .
C6 C 0.6823(3) 0.5510(3) 0.32133(17) 0.0187(5) Uani 1 1 d . . .
C7 C 0.6780(3) 0.6356(3) 0.3904(2) 0.0272(7) Uani 1 1 d . . .
H7 H 0.6154 0.6883 0.3910 0.033 Uiso 1 1 calc R . .
C8 C 0.7679(3) 0.6399(3) 0.45755(19) 0.0280(7) Uani 1 1 d . . .
H8 H 0.7662 0.6973 0.5051 0.034 Uiso 1 1 calc R . .
C9 C 0.8558(3) 0.4898(3) 0.38918(17) 0.0186(5) Uani 1 1 d . . .
C10 C 0.9658(3) 0.3395(3) 0.31603(17) 0.0197(6) Uani 1 1 d . . .
H10A H 1.0549 0.3165 0.3251 0.024 Uiso 1 1 calc R . .
H10B H 0.9572 0.3801 0.2778 0.024 Uiso 1 1 calc R . .
C11 C 0.8660(3) 0.2323(3) 0.28223(17) 0.0187(5) Uani 1 1 d . . .
H11A H 0.7786 0.2560 0.2842 0.022 Uiso 1 1 calc R . .
H11B H 0.8867 0.1843 0.3156 0.022 Uiso 1 1 calc R . .
C12 C 1.0104(3) 0.0850(3) 0.18141(17) 0.0183(5) Uani 1 1 d . . .
C13 C 1.0329(3) 0.0292(3) 0.10923(19) 0.0293(7) Uani 1 1 d . . .
H13 H 0.9714 0.0268 0.0627 0.035 Uiso 1 1 calc R . .
C14 C 1.1463(4) -0.0234(4) 0.1053(2) 0.0350(9) Uani 1 1 d . . .
H14 H 1.1598 -0.0640 0.0559 0.042 Uiso 1 1 calc R . .
C15 C 1.2387(4) -0.0170(4) 0.1725(2) 0.0359(9) Uani 1 1 d . . .
H15 H 1.3158 -0.0526 0.1694 0.043 Uiso 1 1 calc R . .
C16 C 1.2182(4) 0.0415(4) 0.2444(2) 0.0313(8) Uani 1 1 d . . .
H16 H 1.2834 0.0486 0.2907 0.038 Uiso 1 1 calc R . .
C17 C 1.1044(3) 0.0897(3) 0.24963(19) 0.0250(6) Uani 1 1 d . . .
H17 H 1.0894 0.1261 0.2993 0.030 Uiso 1 1 calc R . .
C18 C 0.7359(3) 0.0242(3) 0.15948(18) 0.0231(6) Uani 1 1 d . . .
C19 C 0.6092(3) 0.0241(3) 0.1156(2) 0.0273(7) Uani 1 1 d . . .
H19 H 0.5877 0.0878 0.0993 0.033 Uiso 1 1 calc R . .
C20 C 0.5153(4) -0.0688(4) 0.0959(2) 0.0381(9) Uani 1 1 d . . .
H20 H 0.4294 -0.0692 0.0659 0.046 Uiso 1 1 calc R . .
C21 C 0.5467(4) -0.1612(4) 0.1199(3) 0.0411(9) Uani 1 1 d . . .
H21 H 0.4824 -0.2255 0.1056 0.049 Uiso 1 1 calc R . .
C22 C 0.6706(5) -0.1609(4) 0.1646(3) 0.0452(10) Uani 1 1 d . . .
H22 H 0.6910 -0.2237 0.1821 0.054 Uiso 1 1 calc R . .
C23 C 0.7653(4) -0.0679(3) 0.1836(2) 0.0324(8) Uani 1 1 d . . .
H23 H 0.8510 -0.0679 0.2135 0.039 Uiso 1 1 calc R . .
N1 N 0.5014(3) 0.6093(3) 0.24417(17) 0.0282(6) Uani 1 1 d . . .
N2 N 0.7720(2) 0.4768(2) 0.32051(15) 0.0186(5) Uani 1 1 d . . .
N3 N 0.8580(3) 0.5670(2) 0.45947(15) 0.0232(5) Uani 1 1 d . . .
N4 N 0.9492(3) 0.4171(2) 0.38870(15) 0.0221(5) Uani 1 1 d D . .
H4N H 0.995(3) 0.431(4) 0.4351(13) 0.027 Uiso 1 1 d D . .
P1 P 0.85894(7) 0.14517(7) 0.18226(4) 0.01745(14) Uani 1 1 d . . .
Cl1 Cl 0.76656(8) 0.32691(8) 0.00571(5) 0.02897(17) Uani 1 1 d . . .
Au1 Au 0.813585(11) 0.237957(10) 0.096984(6) 0.02009(3) Uani 1 1 d . . .
C24 C 0.2770(4) 0.1911(4) 0.0393(2) 0.0389(9) Uani 1 1 d . . .
H24 H 0.3085 0.1353 0.0017 0.047 Uiso 1 1 calc R . .
C25 C 0.1701(4) 0.2429(4) 0.0129(2) 0.0374(9) Uani 1 1 d . . .
H25 H 0.1299 0.2233 -0.0413 0.045 Uiso 1 1 calc R . .
C26 C 0.1244(4) 0.3235(4) 0.0677(2) 0.0383(9) Uani 1 1 d . . .
H26 H 0.0520 0.3610 0.0518 0.046 Uiso 1 1 calc R . .
C27 C 0.1854(3) 0.3490(3) 0.1460(2) 0.0290(7) Uani 1 1 d . . .
H27 H 0.1550 0.4036 0.1847 0.035 Uiso 1 1 calc R . .
C28 C 0.2918(3) 0.2935(3) 0.16710(19) 0.0256(6) Uani 1 1 d . . .
C29 C 0.3645(3) 0.3208(3) 0.25003(18) 0.0212(6) Uani 1 1 d . . .
C30 C 0.4773(3) 0.2728(3) 0.2715(2) 0.0267(7) Uani 1 1 d . . .
H30 H 0.5096 0.2177 0.2340 0.032 Uiso 1 1 calc R . .
C31 C 0.5397(3) 0.3092(3) 0.3499(2) 0.0265(7) Uani 1 1 d . . .
H31 H 0.6187 0.2799 0.3661 0.032 Uiso 1 1 calc R . .
C32 C 0.3827(3) 0.4231(3) 0.37812(18) 0.0219(6) Uani 1 1 d . . .
C33 C 0.2411(3) 0.5730(3) 0.41441(19) 0.0229(6) Uani 1 1 d . . .
H33A H 0.1990 0.6030 0.4574 0.027 Uiso 1 1 calc R . .
H33B H 0.1720 0.5302 0.3664 0.027 Uiso 1 1 calc R . .
C34 C 0.3110(3) 0.6736(3) 0.40226(19) 0.0212(6) Uani 1 1 d . . .
H34A H 0.3438 0.6428 0.3554 0.025 Uiso 1 1 calc R . .
H34B H 0.3879 0.7081 0.4475 0.025 Uiso 1 1 calc R . .
C35 C 0.3320(3) 0.8968(3) 0.39149(17) 0.0191(5) Uani 1 1 d . . .
C36 C 0.3297(3) 1.0115(3) 0.43381(19) 0.0246(6) Uani 1 1 d . . .
H36 H 0.2624 1.0326 0.4592 0.030 Uiso 1 1 calc R . .
C37 C 0.4255(4) 1.0953(3) 0.4390(2) 0.0307(7) Uani 1 1 d . . .
H37 H 0.4231 1.1737 0.4674 0.037 Uiso 1 1 calc R . .
C38 C 0.5249(3) 1.0649(3) 0.4029(2) 0.0305(7) Uani 1 1 d . . .
H38 H 0.5914 1.1224 0.4077 0.037 Uiso 1 1 calc R . .
C39 C 0.5277(3) 0.9512(3) 0.3599(2) 0.0293(7) Uani 1 1 d . . .
H39 H 0.5950 0.9310 0.3343 0.035 Uiso 1 1 calc R . .
C40 C 0.4314(3) 0.8662(3) 0.35404(19) 0.0239(6) Uani 1 1 d . . .
H40 H 0.4333 0.7881 0.3248 0.029 Uiso 1 1 calc R . .
C41 C 0.1077(3) 0.7262(3) 0.29213(19) 0.0225(6) Uani 1 1 d . . .
C42 C 0.1370(3) 0.7462(3) 0.2286(2) 0.0301(7) Uani 1 1 d . . .
H42 H 0.2114 0.7983 0.2368 0.036 Uiso 1 1 calc R . .
C43 C 0.0586(4) 0.6907(4) 0.1535(2) 0.0389(9) Uani 1 1 d . . .
H43 H 0.0784 0.7066 0.1108 0.047 Uiso 1 1 calc R . .
C44 C -0.0476(4) 0.6128(4) 0.1407(2) 0.0390(9) Uani 1 1 d . . .
H44 H -0.0999 0.5738 0.0891 0.047 Uiso 1 1 calc R . .
C45 C -0.0781(4) 0.5914(4) 0.2029(3) 0.0447(10) Uani 1 1 d . . .
H45 H -0.1513 0.5375 0.1941 0.054 Uiso 1 1 calc R . .
C46 C -0.0015(4) 0.6486(4) 0.2783(2) 0.0368(9) Uani 1 1 d . . .
H46 H -0.0238 0.6346 0.3209 0.044 Uiso 1 1 calc R . .
N5 N 0.3373(3) 0.2160(3) 0.11462(17) 0.0312(6) Uani 1 1 d . . .
N6 N 0.3155(3) 0.3966(2) 0.30283(16) 0.0229(5) Uani 1 1 d . . .
N7 N 0.4944(3) 0.3845(2) 0.40482(16) 0.0247(6) Uani 1 1 d . . .
N8 N 0.3321(3) 0.4962(3) 0.43302(16) 0.0251(6) Uani 1 1 d D . .
H8N H 0.378(4) 0.520(4) 0.4814(13) 0.030 Uiso 1 1 d D . .
P2 P 0.21263(8) 0.78722(7) 0.39041(5) 0.01975(15) Uani 1 1 d . . .
Cl2 Cl 0.00256(11) 0.91354(11) 0.57879(6) 0.0459(3) Uani 1 1 d . . .
Au2 Au 0.106456(12) 0.848593(12) 0.482096(7) 0.02565(4) Uani 1 1 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'
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
N1 C1 C2 123.5(3) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C3 C2 C1 118.4(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.3(3) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
N1 C5 C4 122.9(3) . . ?
N1 C5 C6 116.7(3) . . ?
C4 C5 C6 120.4(3) . . ?
N2 C6 C7 121.2(3) . . ?
N2 C6 C5 115.9(3) . . ?
C7 C6 C5 123.0(3) . . ?
C8 C7 C6 117.4(3) . . ?
C8 C7 H7 121.3 . . ?
C6 C7 H7 121.3 . . ?
N3 C8 C7 123.4(3) . . ?
N3 C8 H8 118.3 . . ?
C7 C8 H8 118.3 . . ?
N2 C9 N3 127.1(3) . . ?
N2 C9 N4 116.8(3) . . ?
N3 C9 N4 116.1(3) . . ?
N4 C10 C11 112.0(3) . . ?
N4 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
N4 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 P1 114.5(2) . . ?
C10 C11 H11A 108.6 . . ?
P1 C11 H11A 108.6 . . ?
C10 C11 H11B 108.6 . . ?
P1 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C17 119.1(3) . . ?
C13 C12 P1 117.6(2) . . ?
C17 C12 P1 123.2(2) . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.7(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.5(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C12 120.0(3) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C23 C18 C19 119.5(3) . . ?
C23 C18 P1 121.3(3) . . ?
C19 C18 P1 119.3(3) . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 119.9(4) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.4(4) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C18 C23 C22 120.7(4) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C5 N1 C1 117.5(3) . . ?
C9 N2 C6 116.3(3) . . ?
C8 N3 C9 114.6(3) . . ?
C9 N4 C10 121.0(3) . . ?
C9 N4 H4N 109(3) . . ?
C10 N4 H4N 130(3) . . ?
C12 P1 C18 105.51(15) . . ?
C12 P1 C11 108.49(14) . . ?
C18 P1 C11 104.25(14) . . ?
C12 P1 Au1 111.34(10) . . ?
C18 P1 Au1 112.22(11) . . ?
C11 P1 Au1 114.42(10) . . ?
P1 Au1 Cl1 177.86(3) . . ?
N5 C24 C25 123.3(4) . . ?
N5 C24 H24 118.4 . . ?
C25 C24 H24 118.4 . . ?
C26 C25 C24 118.1(4) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C25 C26 C27 119.0(4) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C26 C27 C28 119.0(3) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
N5 C28 C27 122.4(3) . . ?
N5 C28 C29 116.1(3) . . ?
C27 C28 C29 121.4(3) . . ?
N6 C29 C30 122.4(3) . . ?
N6 C29 C28 115.7(3) . . ?
C30 C29 C28 121.9(3) . . ?
C31 C30 C29 116.5(3) . . ?
C31 C30 H30 121.8 . . ?
C29 C30 H30 121.8 . . ?
N7 C31 C30 123.3(3) . . ?
N7 C31 H31 118.4 . . ?
C30 C31 H31 118.4 . . ?
N7 C32 N6 126.5(3) . . ?
N7 C32 N8 116.5(3) . . ?
N6 C32 N8 117.0(3) . . ?
N8 C33 C34 110.8(3) . . ?
N8 C33 H33A 109.5 . . ?
C34 C33 H33A 109.5 . . ?
N8 C33 H33B 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 P2 115.7(2) . . ?
C33 C34 H34A 108.3 . . ?
P2 C34 H34A 108.3 . . ?
C33 C34 H34B 108.3 . . ?
P2 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C36 C35 C40 119.7(3) . . ?
C36 C35 P2 119.7(2) . . ?
C40 C35 P2 120.5(2) . . ?
C37 C36 C35 120.1(3) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 C36 120.2(3) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C39 C38 C37 120.4(3) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C40 119.9(3) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 C35 119.7(3) . . ?
C39 C40 H40 120.2 . . ?
C35 C40 H40 120.2 . . ?
C42 C41 C46 118.3(3) . . ?
C42 C41 P2 122.8(3) . . ?
C46 C41 P2 118.6(3) . . ?
C43 C42 C41 120.7(3) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 120.2(4) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 120.0(4) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C46 119.9(4) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C41 120.8(4) . . ?
C45 C46 H46 119.6 . . ?
C41 C46 H46 119.6 . . ?
C28 N5 C24 118.1(3) . . ?
C29 N6 C32 115.8(3) . . ?
C32 N7 C31 115.4(3) . . ?
C32 N8 C33 122.2(3) . . ?
C32 N8 H8N 118(3) . . ?
C33 N8 H8N 114(3) . . ?
C41 P2 C35 107.85(15) . . ?
C41 P2 C34 104.19(15) . . ?
C35 P2 C34 102.66(14) . . ?
C41 P2 Au2 114.35(10) . . ?
C35 P2 Au2 113.52(10) . . ?
C34 P2 Au2 113.21(11) . . ?
P2 Au2 Cl2 178.47(4) . . ?
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
C1 N1 1.343(5) . ?
C1 C2 1.392(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.364(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.398(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(5) . ?
C4 H4 0.9500 . ?
C5 N1 1.334(4) . ?
C5 C6 1.487(4) . ?
C6 N2 1.348(4) . ?
C6 C7 1.392(4) . ?
C7 C8 1.373(5) . ?
C7 H7 0.9500 . ?
C8 N3 1.344(4) . ?
C8 H8 0.9500 . ?
C9 N2 1.338(4) . ?
C9 N3 1.352(4) . ?
C9 N4 1.365(4) . ?
C10 N4 1.449(4) . ?
C10 C11 1.521(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 P1 1.821(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.391(4) . ?
C12 C17 1.407(4) . ?
C12 P1 1.801(3) . ?
C13 C14 1.397(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.377(5) . ?
C18 C19 1.402(5) . ?
C18 P1 1.816(3) . ?
C19 C20 1.384(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.392(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
N4 H4N 0.851(18) . ?
P1 Au1 2.2309(8) . ?
Cl1 Au1 2.2915(8) . ?
C24 N5 1.335(5) . ?
C24 C25 1.393(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(5) . ?
C27 H27 0.9500 . ?
C28 N5 1.334(4) . ?
C28 C29 1.485(5) . ?
C29 N6 1.349(4) . ?
C29 C30 1.390(5) . ?
C30 C31 1.378(5) . ?
C30 H30 0.9500 . ?
C31 N7 1.347(4) . ?
C31 H31 0.9500 . ?
C32 N7 1.343(4) . ?
C32 N6 1.349(4) . ?
C32 N8 1.368(4) . ?
C33 N8 1.445(4) . ?
C33 C34 1.530(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 P2 1.824(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.391(5) . ?
C35 C40 1.402(4) . ?
C35 P2 1.811(3) . ?
C36 C37 1.387(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.386(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.385(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.397(5) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.392(5) . ?
C41 C46 1.394(5) . ?
C41 P2 1.811(3) . ?
C42 C43 1.388(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.376(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.383(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
N8 H8N 0.868(19) . ?
P2 Au2 2.2268(8) . ?
Cl2 Au2 2.2894(9) . ?
