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#$Date: 2025-08-22 18:52:37 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/62/7226265.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_7226265
loop_
_publ_author_name
'Strelnik, Igor D.'
'Gurzhiy, Vladislav V.'
'Sizov, Vladimir V.'
'Musina, Elvira I.'
'Karasik, Andrey A.'
'Tunik, Sergey P.'
'Grachova, Elena V.'
_publ_section_title
;
 A stimuli-responsive Au(i) complex based on an aminomethylphosphine
 template: synthesis, crystalline phases and luminescence properties
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              7629
_journal_paper_doi               10.1039/C6CE01272H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C28 H30 Au2 Cl2 N4 P2, 2(C3 H6 O)'
_chemical_formula_sum            'C34 H42 Au2 Cl2 N4 O2 P2'
_chemical_formula_weight         1065.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-10-01
_audit_creation_method
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_audit_update_record
;
2014-10-01 deposited with the CCDC.
2016-08-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 124.55(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.029(4)
_cell_length_b                   16.9105(16)
_cell_length_c                   12.0433(18)
_cell_measurement_reflns_used    3680
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.0982
_cell_measurement_theta_min      2.8244
_cell_volume                     4030.6(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
  1 omega  -79.00  -46.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777 -178.0000   90.0000 33

  2 omega  -20.00    7.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.8777  -99.0000   30.0000 27

  3 omega   40.00   84.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  178.0000   30.0000 44

  4 omega  -50.00   49.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -19.0000  -30.0000 99

  5 omega  -31.00   39.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8152  -57.0000 -120.0000 70
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0253156000
_diffrn_orient_matrix_UB_12      -0.0297277000
_diffrn_orient_matrix_UB_13      -0.0268269000
_diffrn_orient_matrix_UB_21      -0.0001019000
_diffrn_orient_matrix_UB_22      0.0016883000
_diffrn_orient_matrix_UB_23      0.0587361000
_diffrn_orient_matrix_UB_31      -0.0253254000
_diffrn_orient_matrix_UB_32      0.0295665000
_diffrn_orient_matrix_UB_33      -0.0304481000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10227
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.830
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    7.516
_exptl_absorpt_correction_T_max  0.559
_exptl_absorpt_correction_T_min  0.331
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_description       prism
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.106
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4098
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0397P)²+6.0898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.0879
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3325
_reflns_number_total             4098
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ce01272h2.cif
_cod_data_source_block           sid_2new
_cod_depositor_comments
'Adding full bibliography for 7226264--7226266.cif.'
_cod_original_cell_volume        4030.5(13)
_cod_database_code               7226265
_shelxl_version_number           2013-4
_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.
;
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C21) = Uanis(C22) = Uanis(C23)
Uanis(C18) = Uanis(C19) = Uanis(C20) = Uanis(O1)
3. Others
 Fixed Sof: H12A(0.5) H12B(0.5) H12C(0.5) H19A(0.5) H19B(0.5) H19C(0.5)
 H20A(0.5) H20B(0.5) H20C(0.5) H17A(0.5) H17B(0.5) H17C(0.5) O2(0.5) C21(0.5)
 C23(0.5) H23A(0.5) H23B(0.5) H23C(0.5) C22(0.5) H22A(0.5) H22B(0.5) H22C(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B)
4.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C9(H9), C15(H15), C4(H4), C5(H5), C7(H7), C10(H10), C6(H6)
4.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C17(H17A,H17B,
 H17C), C23(H23A,H23B,H23C), C22(H22A,H22B,H22C)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.30466(2) 0.17611(2) 0.46086(2) 0.02323(10) Uani 1 1 d . . . . .
P1 P 0.39884(8) 0.13168(10) 0.64477(15) 0.0222(4) Uani 1 1 d . . . . .
Cl1 Cl 0.20792(8) 0.22058(11) 0.26883(17) 0.0387(4) Uani 1 1 d . . . . .
N3 N 0.5167(3) 0.1749(3) 0.8645(5) 0.0273(13) Uani 1 1 d . . . . .
N2 N 0.3518(3) 0.0000 0.7119(6) 0.0188(16) Uani 1 2 d S T P . .
N1 N 0.4268(3) 0.0000 0.5416(6) 0.0226(17) Uani 1 2 d S T P . .
C8 C 0.2819(4) 0.0000 0.6484(8) 0.0186(18) Uani 1 2 d S T P . .
C14 C 0.3866(3) 0.0705(5) 0.3331(6) 0.0296(16) Uani 1 1 d . . . . .
H14 H 0.3917 0.1186 0.3753 0.036 Uiso 1 1 calc R . . . .
C3 C 0.4583(3) 0.2058(4) 0.7603(6) 0.0251(14) Uani 1 1 d . . . . .
C1 C 0.4553(3) 0.0724(4) 0.6189(6) 0.0280(15) Uani 1 1 d . . . . .
H1A H 0.4698 0.1053 0.5739 0.034 Uiso 1 1 calc R . . . .
H1B H 0.4952 0.0587 0.7067 0.034 Uiso 1 1 calc R . . . .
C9 C 0.2460(3) 0.0717(4) 0.6168(6) 0.0271(15) Uani 1 1 d . . . . .
H9 H 0.2686 0.1198 0.6374 0.033 Uiso 1 1 calc R . . . .
C13 C 0.3999(4) 0.0000 0.4025(8) 0.021(2) Uani 1 2 d S T P . .
C2 C 0.3895(3) 0.0731(4) 0.7625(6) 0.0235(14) Uani 1 1 d . . . . .
H2A H 0.4344 0.0607 0.8407 0.028 Uiso 1 1 calc R . . . .
H2B H 0.3678 0.1062 0.7932 0.028 Uiso 1 1 calc R . . . .
C15 C 0.3653(3) 0.0680(5) 0.1977(7) 0.0387(19) Uani 1 1 d . . . . .
H15 H 0.3574 0.1157 0.1526 0.046 Uiso 1 1 calc R . . . .
C4 C 0.4460(3) 0.2858(4) 0.7431(7) 0.0334(16) Uani 1 1 d . . . . .
H4 H 0.4052 0.3050 0.6697 0.040 Uiso 1 1 calc R . . . .
C5 C 0.4957(4) 0.3378(5) 0.8372(8) 0.048(2) Uani 1 1 d . . . . .
H5 H 0.4887 0.3922 0.8294 0.057 Uiso 1 1 calc R . . . .
C7 C 0.5637(3) 0.2258(4) 0.9521(6) 0.0319(16) Uani 1 1 d . . . . .
H7 H 0.6044 0.2055 1.0242 0.038 Uiso 1 1 calc R . . . .
C16 C 0.3555(5) 0.0000 0.1290(9) 0.034(2) Uani 1 2 d S T P . .
C10 C 0.1757(3) 0.0699(5) 0.5539(7) 0.0415(19) Uani 1 1 d . . . . .
H10 H 0.1526 0.1176 0.5340 0.050 Uiso 1 1 calc R . . . .
C6 C 0.5554(4) 0.3057(5) 0.9421(7) 0.0392(19) Uani 1 1 d . . . . .
H6 H 0.5901 0.3384 1.0059 0.047 Uiso 1 1 calc R . . . .
C11 C 0.1395(5) 0.0000 0.5204(10) 0.047(3) Uani 1 2 d S T P . .
C12 C 0.0648(5) 0.0000 0.4488(12) 0.061(4) Uani 1 2 d S T P . .
H12A H 0.0530 0.0245 0.5047 0.092 Uiso 0.5 1 calc GR . . A -1
H12B H 0.0485 -0.0535 0.4295 0.092 Uiso 0.5 1 calc GR . . A -1
H12C H 0.0447 0.0290 0.3660 0.092 Uiso 0.5 1 calc GR . . A -1
C18 C 0.6410(10) 0.5000 1.1154(19) 0.088(2) Uani 1 2 d S T P . .
O1 O 0.5902(6) 0.5000 1.0070(11) 0.088(2) Uani 1 2 d S T P . .
C19 C 0.6388(8) 0.5000 1.2327(16) 0.088(2) Uani 1 2 d S T P . .
H19A H 0.6419 0.5534 1.2629 0.133 Uiso 0.5 1 calc GR . . B -1
H19B H 0.6759 0.4697 1.3032 0.133 Uiso 0.5 1 calc GR . . B -1
H19C H 0.5970 0.4770 1.2099 0.133 Uiso 0.5 1 calc GR . . B -1
C20 C 0.7051(8) 0.5000 1.1340(16) 0.088(2) Uani 1 2 d S T P . .
H20A H 0.7003 0.4792 1.0548 0.133 Uiso 0.5 1 calc GR . . C -1
H20B H 0.7361 0.4677 1.2103 0.133 Uiso 0.5 1 calc GR . . C -1
H20C H 0.7221 0.5531 1.1495 0.133 Uiso 0.5 1 calc GR . . C -1
C17 C 0.3366(6) 0.0000 -0.0122(10) 0.063(4) Uani 1 2 d S T P . .
H17A H 0.2921 0.0219 -0.0710 0.094 Uiso 0.5 1 calc GR . . D -1
H17B H 0.3371 -0.0532 -0.0394 0.094 Uiso 0.5 1 calc GR . . D -1
H17C H 0.3684 0.0314 -0.0173 0.094 Uiso 0.5 1 calc GR . . D -1
O2 O 0.6065(7) 0.4071(8) 0.7491(13) 0.074(4) Uani 0.5 1 d . . . . .
C21 C 0.6259(11) 0.3392(13) 0.756(2) 0.065(3) Uani 0.5 1 d . . . . .
C23 C 0.5927(9) 0.2813(12) 0.668(2) 0.065(3) Uani 0.5 1 d . . . . .
H23A H 0.5839 0.2394 0.7096 0.098 Uiso 0.5 1 calc GR . . . .
H23B H 0.6196 0.2615 0.6379 0.098 Uiso 0.5 1 calc GR . . . .
H23C H 0.5507 0.3013 0.5920 0.098 Uiso 0.5 1 calc GR . . . .
C22 C 0.6871(9) 0.3092(11) 0.858(2) 0.065(3) Uani 0.5 1 d . . . . .
H22A H 0.7206 0.3502 0.8936 0.098 Uiso 0.5 1 calc GR . . . .
H22B H 0.7000 0.2671 0.8236 0.098 Uiso 0.5 1 calc GR . . . .
H22C H 0.6836 0.2892 0.9285 0.098 Uiso 0.5 1 calc GR . . . .
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'
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'
N N 0.0061 0.0033 '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'
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
P1 Au1 Cl1 178.96(6) . .
C3 P1 Au1 116.5(2) . .
C3 P1 C1 99.8(3) . .
C3 P1 C2 99.6(3) . .
C1 P1 Au1 116.52(19) . .
C2 P1 Au1 116.8(2) . .
C2 P1 C1 105.0(3) . .
C7 N3 C3 116.9(6) . .
C8 N2 C2 120.1(3) . 6
C8 N2 C2 120.1(3) . .
C2 N2 C2 117.4(7) . 6
C1 N1 C1 114.8(7) 6 .
C13 N1 C1 119.5(4) . .
C13 N1 C1 119.5(4) . 6
N2 C8 C9 120.7(4) . 6
N2 C8 C9 120.7(4) . .
C9 C8 C9 118.6(8) . 6
C13 C14 H14 120.6 . .
C13 C14 C15 118.9(7) . .
C15 C14 H14 120.6 . .
N3 C3 P1 113.4(5) . .
N3 C3 C4 122.9(6) . .
C4 C3 P1 123.8(5) . .
P1 C1 H1A 108.2 . .
P1 C1 H1B 108.2 . .
N1 C1 P1 116.2(4) . .
N1 C1 H1A 108.2 . .
N1 C1 H1B 108.2 . .
H1A C1 H1B 107.4 . .
C8 C9 H9 120.3 . .
C10 C9 C8 119.5(7) . .
C10 C9 H9 120.3 . .
C14 C13 N1 120.7(4) 6 .
C14 C13 N1 120.7(4) . .
C14 C13 C14 118.7(8) . 6
P1 C2 H2A 108.0 . .
P1 C2 H2B 108.0 . .
N2 C2 P1 117.0(4) . .
N2 C2 H2A 108.0 . .
N2 C2 H2B 108.0 . .
H2A C2 H2B 107.3 . .
C14 C15 H15 118.1 . .
C16 C15 C14 123.8(8) . .
C16 C15 H15 118.1 . .
C3 C4 H4 120.5 . .
C3 C4 C5 119.1(6) . .
C5 C4 H4 120.5 . .
C4 C5 H5 121.2 . .
C6 C5 C4 117.6(7) . .
C6 C5 H5 121.2 . .
N3 C7 H7 118.1 . .
N3 C7 C6 123.7(6) . .
C6 C7 H7 118.1 . .
C15 C16 C15 115.8(9) 6 .
C15 C16 C17 122.1(4) 6 .
C15 C16 C17 122.1(4) . .
C9 C10 H10 118.7 . .
C11 C10 C9 122.7(8) . .
C11 C10 H10 118.7 . .
C5 C6 H6 120.1 . .
C7 C6 C5 119.8(7) . .
C7 C6 H6 120.1 . .
C10 C11 C10 117.1(9) 6 .
C10 C11 C12 121.4(5) . .
C10 C11 C12 121.4(5) 6 .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O1 C18 C19 119.7(19) . .
O1 C18 C20 121(2) . .
C20 C18 C19 118.9(17) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O2 C21 C23 127(2) . .
O2 C21 C22 126(2) . .
C23 C21 C22 107(2) . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2150(17) .
Au1 Cl1 2.2845(18) .
P1 C3 1.815(6) .
P1 C1 1.850(7) .
P1 C2 1.845(6) .
N3 C3 1.349(8) .
N3 C7 1.333(8) .
N2 C8 1.395(10) .
N2 C2 1.448(7) 6
N2 C2 1.448(7) .
N1 C1 1.452(7) .
N1 C1 1.452(7) 6
N1 C13 1.412(10) .
C8 C9 1.410(7) 6
C8 C9 1.410(7) .
C14 H14 0.9300 .
C14 C13 1.386(8) .
C14 C15 1.405(8) .
C3 C4 1.376(9) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C9 H9 0.9300 .
C9 C10 1.405(9) .
C13 C14 1.386(8) 6
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C15 H15 0.9300 .
C15 C16 1.358(9) .
C4 H4 0.9300 .
C4 C5 1.396(10) .
C5 H5 0.9300 .
C5 C6 1.376(10) .
C7 H7 0.9300 .
C7 C6 1.361(10) .
C16 C15 1.358(9) 6
C16 C17 1.491(12) .
C10 H10 0.9300 .
C10 C11 1.385(9) .
C6 H6 0.9300 .
C11 C10 1.385(9) 6
C11 C12 1.486(13) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C18 O1 1.177(18) .
C18 C19 1.44(2) .
C18 C20 1.43(2) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
O2 C21 1.22(2) .
C21 C23 1.33(3) .
C21 C22 1.37(3) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Au1 P1 C3 N3 -175.0(4) . .
Au1 P1 C3 C4 3.8(6) . .
Au1 P1 C1 N1 -60.5(5) . .
Au1 P1 C2 N2 61.7(5) . .
P1 C3 C4 C5 -179.1(6) . .
N3 C3 C4 C5 -0.4(10) . .
N3 C7 C6 C5 0.4(12) . .
N2 C8 C9 C10 -179.4(7) . .
C8 N2 C2 P1 -88.7(7) . .
C8 C9 C10 C11 -0.3(11) . .
C14 C15 C16 C15 2.4(14) . 6
C14 C15 C16 C17 -176.5(9) . .
C3 P1 C1 N1 173.1(5) . .
C3 P1 C2 N2 -172.0(5) . .
C3 N3 C7 C6 0.5(10) . .
C3 C4 C5 C6 1.2(11) . .
C1 P1 C3 N3 -48.7(5) . .
C1 P1 C3 C4 130.1(6) . .
C1 P1 C2 N2 -69.0(5) . .
C1 N1 C1 P1 -110.7(6) 6 .
C1 N1 C13 C14 -165.3(6) 6 .
C1 N1 C13 C14 -14.3(10) . .
C1 N1 C13 C14 14.3(10) 6 6
C1 N1 C13 C14 165.3(6) . 6
C9 C8 C9 C10 -0.7(11) 6 .
C9 C10 C11 C10 1.3(14) . 6
C9 C10 C11 C12 -177.4(8) . .
C13 N1 C1 P1 97.0(7) . .
C13 C14 C15 C16 1.3(11) . .
C2 P1 C3 N3 58.5(5) . .
C2 P1 C3 C4 -122.7(6) . .
C2 P1 C1 N1 70.3(5) . .
C2 N2 C8 C9 -170.4(6) . 6
C2 N2 C8 C9 8.3(10) . .
C2 N2 C8 C9 -8.3(10) 6 6
C2 N2 C8 C9 170.4(6) 6 .
C2 N2 C2 P1 108.7(6) 6 .
C15 C14 C13 N1 174.6(6) . .
C15 C14 C13 C14 -5.0(12) . 6
C4 C5 C6 C7 -1.2(12) . .
C7 N3 C3 P1 178.4(5) . .
C7 N3 C3 C4 -0.5(9) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139202604
