#------------------------------------------------------------------------------
#$Date: 2026-03-07 02:13:00 +0100 (Sat 07 de Mar de 2026) $
#$Revision: 304991 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/06/7720603.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_7720603
loop_
_publ_author_name
'Kopp, Richard Otto'
'Coles, Nathan'
'Ernst, Moritz J.'
'Weber, Manuela'
'Ward, Benjamin D.'
'Muller, Christian'
_publ_section_title
;
 Janus-faced coordination chemistry of pyridyl-functionalized phosphinines
 with Cu(I) and Au(I)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00083E
_journal_year                    2026
_chemical_formula_moiety         'C21 H27 Au Br0.704 Cl0.296 N2 P Si2'
_chemical_formula_sum            'C21 H27 Au Br0.7 Cl0.3 N2 P Si2'
_chemical_formula_weight         658.36
_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     dual
_audit_creation_date             2025-11-12
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-11-14 deposited with the CCDC.	2026-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                100.019(2)
_cell_angle_beta                 107.6930(10)
_cell_angle_gamma                106.5960(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6410(4)
_cell_length_b                   11.0679(5)
_cell_length_c                   12.7090(5)
_cell_measurement_reflns_used    9680
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      2.86
_cell_volume                     1186.57(9)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            43810
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.586
_diffrn_reflns_theta_min         2.496
_exptl_absorpt_coefficient_mu    7.598
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.5375
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_description       prism
_exptl_crystal_F_000             637
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.106
_refine_diff_density_max         0.515
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         6657
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0167
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0054P)²+1.0519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0387
_refine_ls_wR_factor_ref         0.0401
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6384
_reflns_number_total             6657
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00083e3.cif
_cod_data_source_block           rok390_mje
_cod_original_formula_sum        'C21 H27 Au Br0.70 Cl0.30 N2 P Si2'
_cod_database_code               7720603
_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_max   0.500
_shelx_estimated_absorpt_t_min   0.395
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C11, C11A}
3. Restrained distances
 C4-C11 \\sim C4-C11A
 with sigma of 0.02
 C12-C13 \\sim C12A-C13A
 with sigma of 0.02
 C12-C11 \\sim C12A-C11A
 with sigma of 0.02
 C13-C14 \\sim C13A-C14A
 with sigma of 0.02
 N2-C11 \\sim N2A-C11A
 with sigma of 0.02
 N2-C15 \\sim N2A-C15A
 with sigma of 0.02
 C14-C15 \\sim C14A-C15A
 with sigma of 0.02
 C4-C12 \\sim C4-C12A
 with sigma of 0.04
 C4-N2 \\sim C4-N2A
 with sigma of 0.04
 C12-N2 \\sim C12A-N2A
 with sigma of 0.04
 C12-C14 \\sim C12A-C14A
 with sigma of 0.04
 C13-C11 \\sim C13A-C11A
 with sigma of 0.04
 C13-C15 \\sim C13A-C15A
 with sigma of 0.04
 N2-C14 \\sim N2A-C14A
 with sigma of 0.04
 C11-C15 \\sim C11A-C15A
 with sigma of 0.04
4. Uiso/Uaniso restraints and constraints
Uanis(Br1) = Uanis(Cl9)
Uanis(Au1) = Uanis(Au1A)
Uanis(C11) = Uanis(C11A)
Uanis(N2A) = Uanis(N2)
Uanis(C12) = Uanis(C12A)
Uanis(C13) = Uanis(C13A)
Uanis(C15) = Uanis(C15A)
5. Others
 Sof(Cl9)=Sof(Au1A)=1-FVAR(1)
 Sof(Au1)=Sof(Br1)=FVAR(1)
 Sof(C12A)=Sof(H12A)=Sof(C13A)=Sof(H13A)=Sof(N2A)=Sof(C11A)=Sof(C14A)=
 Sof(H14A)=Sof(C15A)=Sof(H15A)=1-FVAR(2)
 Sof(C12)=Sof(H12)=Sof(C13)=Sof(H13)=Sof(N2)=Sof(C11)=Sof(C14)=Sof(H14)=
 Sof(C15)=Sof(H15)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C12(H12), C13(H13), C7(H7), C8(H8), C14(H14), C9(H9), C15(H15),
 C10(H10), C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A)
6.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C17(H17A,H17B,H17C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.59133(17) 0.86141(14) 0.50501(12) 0.01481(9) Uani 0.704(2) 1 d . . P A
1
P1 P 0.47097(6) 0.72258(5) 0.32802(4) 0.01478(9) Uani 1 1 d . . . . .
Si1 Si 0.74459(6) 0.85671(5) 0.25486(5) 0.01480(10) Uani 1 1 d . . . . .
Si2 Si 0.19360(6) 0.55038(5) 0.38291(5) 0.01684(10) Uani 1 1 d . . . . .
C1 C 0.5341(2) 0.74389(17) 0.21736(16) 0.0139(3) Uani 1 1 d . . . . .
C3 C 0.2990(2) 0.55459(18) 0.08386(16) 0.0139(3) Uani 1 1 d . . . . .
H3 H 0.240810 0.503664 0.005830 0.017 Uiso 1 1 calc R U . . .
N1 N 0.4954(2) 0.82619(16) 0.00597(16) 0.0200(3) Uani 1 1 d . . . . .
C5 C 0.3026(2) 0.58669(18) 0.28230(16) 0.0145(3) Uani 1 1 d . . . . .
C2 C 0.4296(2) 0.66531(17) 0.10504(16) 0.0135(3) Uani 1 1 d . . . . .
C6 C 0.4553(2) 0.69786(18) 0.00206(16) 0.0139(3) Uani 1 1 d . . . . .
C4 C 0.2460(2) 0.51180(18) 0.16664(16) 0.0136(3) Uani 1 1 d D . . . .
C12 C -0.0089(13) 0.3357(15) 0.0241(11) 0.0135(13) Uani 0.511(14) 1 d D . P B 3
H12 H -0.027531 0.393817 -0.020758 0.016 Uiso 0.511(14) 1 calc R U P B 3
C13 C -0.1123(10) 0.2087(11) -0.0076(11) 0.0186(9) Uani 0.511(14) 1 d D . P B 3
H13 H -0.205797 0.177105 -0.074053 0.022 Uiso 0.511(14) 1 calc R U P B 3
C7 C 0.4355(2) 0.60020(19) -0.09185(16) 0.0170(4) Uani 1 1 d . . . . .
H7 H 0.404856 0.510514 -0.092251 0.020 Uiso 1 1 calc R U . . .
N2 N 0.1590(7) 0.3035(8) 0.1933(5) 0.0173(14) Uani 0.511(14) 1 d D . P B 3
C11 C 0.1244(2) 0.37681(18) 0.12441(16) 0.0151(3) Uani 0.511(14) 1 d D . P B 3
C16 C 0.8691(2) 0.8310(2) 0.3875(2) 0.0260(4) Uani 1 1 d . . . . .
H16A H 0.842417 0.863214 0.452751 0.039 Uiso 1 1 calc R U . . .
H16B H 0.979321 0.879429 0.403909 0.039 Uiso 1 1 calc R U . . .
H16C H 0.850912 0.737045 0.375332 0.039 Uiso 1 1 calc R U . . .
C19 C 0.2206(3) 0.7084(2) 0.48145(19) 0.0245(4) Uani 1 1 d . . . . .
H19A H 0.326765 0.745429 0.539952 0.037 Uiso 1 1 calc R U . . .
H19B H 0.145064 0.692268 0.519220 0.037 Uiso 1 1 calc R U . . .
H19C H 0.204110 0.770504 0.436985 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4616(3) 0.6369(2) -0.18528(18) 0.0262(4) Uani 1 1 d . . . . .
H8 H 0.451524 0.572685 -0.250188 0.031 Uiso 1 1 calc R U . . .
C18 C 0.8200(2) 0.8013(2) 0.14356(18) 0.0207(4) Uani 1 1 d . . . . .
H18A H 0.796006 0.706186 0.127441 0.031 Uiso 1 1 calc R U . . .
H18B H 0.933348 0.847007 0.172116 0.031 Uiso 1 1 calc R U . . .
H18C H 0.770389 0.821578 0.072697 0.031 Uiso 1 1 calc R U . . .
C14 C -0.0762(18) 0.1282(11) 0.0599(10) 0.023(2) Uani 0.511(14) 1 d D . P B 3
H14 H -0.142602 0.038841 0.039199 0.028 Uiso 0.511(14) 1 calc R U P B 3
C9 C 0.5025(3) 0.7682(3) -0.1826(2) 0.0305(5) Uani 1 1 d . . . . .
H9 H 0.520454 0.795580 -0.245605 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2700(3) 0.4503(3) 0.4729(2) 0.0341(5) Uani 1 1 d . . . . .
H20A H 0.254788 0.365716 0.422812 0.051 Uiso 1 1 calc R U . . .
H20B H 0.213806 0.434964 0.524765 0.051 Uiso 1 1 calc R U . . .
H20C H 0.381564 0.497559 0.518414 0.051 Uiso 1 1 calc R U . . .
C21 C -0.0205(3) 0.4705(2) 0.2976(2) 0.0299(5) Uani 1 1 d . . . . .
H21A H -0.077377 0.472828 0.349617 0.045 Uiso 1 1 calc R U . . .
H21B H -0.044632 0.378844 0.256768 0.045 Uiso 1 1 calc R U . . .
H21C H -0.052009 0.517710 0.241652 0.045 Uiso 1 1 calc R U . . .
C15 C 0.0579(7) 0.1801(9) 0.1576(7) 0.0186(10) Uani 0.511(14) 1 d D . P B 3
H15 H 0.080107 0.123482 0.203187 0.022 Uiso 0.511(14) 1 calc R U P B 3
C17 C 0.7650(3) 1.0324(2) 0.2821(2) 0.0251(4) Uani 1 1 d . . . . .
H17A H 0.722210 1.050497 0.208643 0.038 Uiso 1 1 calc R U . . .
H17B H 0.875683 1.088064 0.321093 0.038 Uiso 1 1 calc R U . . .
H17C H 0.707967 1.051334 0.330963 0.038 Uiso 1 1 calc R U . . .
C10 C 0.5168(3) 0.8586(2) -0.0864(2) 0.0262(4) Uani 1 1 d . . . . .
H10 H 0.543164 0.948333 -0.085592 0.031 Uiso 1 1 calc R U . . .
Br1 Br 0.71577(15) 1.01893(10) 0.68919(11) 0.02119(15) Uani 0.704(2) 1 d . . P A
1
Cl9 Cl 0.7256(10) 1.0022(7) 0.6902(8) 0.02119(15) Uani 0.296(2) 1 d . . P A 2
Au1A Au 0.5858(4) 0.8689(3) 0.4985(3) 0.01481(9) Uani 0.296(2) 1 d . . P A 2
C12A C 0.1447(9) 0.2734(10) 0.1731(6) 0.0135(13) Uani 0.489(14) 1 d D . P B 4
H12A H 0.234845 0.290948 0.239254 0.016 Uiso 0.489(14) 1 calc R U P B 4
C13A C 0.0345(8) 0.1488(8) 0.1248(8) 0.0186(9) Uani 0.489(14) 1 d D . P B 4
H13A H 0.046903 0.079012 0.156364 0.022 Uiso 0.489(14) 1 calc R U P B 4
N2A N 0.0012(13) 0.3543(13) 0.0293(11) 0.0173(14) Uani 0.489(14) 1 d D . P B 4
C11A C 0.1244(2) 0.37681(18) 0.12441(16) 0.0151(3) Uani 0.489(14) 1 d D . P B 4
C14A C -0.0955(18) 0.1275(12) 0.0287(11) 0.021(2) Uani 0.489(14) 1 d D . P B 4
H14A H -0.175446 0.042931 -0.006456 0.025 Uiso 0.489(14) 1 calc R U P B 4
C15A C -0.1066(11) 0.2324(11) -0.0153(12) 0.0186(10) Uani 0.489(14) 1 d D . P B
4
H15A H -0.196278 0.216727 -0.081125 0.022 Uiso 0.489(14) 1 calc R U P B 4
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'
Br Br -0.2901 2.4595 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
P1 Au1 Br1 176.69(7) . . ?
C1 P1 Au1 122.83(8) . . ?
C1 P1 C5 111.51(9) . . ?
C1 P1 Au1A 121.33(12) . . ?
C5 P1 Au1 125.62(8) . . ?
C5 P1 Au1A 126.84(12) . . ?
C16 Si1 C1 107.32(9) . . ?
C18 Si1 C1 110.61(9) . . ?
C18 Si1 C16 103.48(10) . . ?
C17 Si1 C1 111.77(9) . . ?
C17 Si1 C16 109.59(11) . . ?
C17 Si1 C18 113.57(10) . . ?
C19 Si2 C5 109.29(9) . . ?
C19 Si2 C21 105.87(11) . . ?
C20 Si2 C5 111.25(10) . . ?
C20 Si2 C19 108.05(11) . . ?
C20 Si2 C21 112.31(13) . . ?
C21 Si2 C5 109.88(10) . . ?
P1 C1 Si1 118.51(10) . . ?
C2 C1 P1 116.54(13) . . ?
C2 C1 Si1 124.63(13) . . ?
C2 C3 H3 116.9 . . ?
C4 C3 H3 116.9 . . ?
C4 C3 C2 126.17(17) . . ?
C10 N1 C6 117.26(18) . . ?
P1 C5 Si2 120.47(10) . . ?
C4 C5 P1 116.45(13) . . ?
C4 C5 Si2 122.92(13) . . ?
C1 C2 C6 120.52(16) . . ?
C3 C2 C1 123.04(16) . . ?
C3 C2 C6 116.45(16) . . ?
N1 C6 C2 115.77(16) . . ?
N1 C6 C7 123.18(17) . . ?
C7 C6 C2 121.04(16) . . ?
C3 C4 C5 123.81(16) . . ?
C3 C4 C11 115.10(16) . . ?
C3 C4 C11A 115.10(16) . . ?
C5 C4 C11 121.08(16) . . ?
C5 C4 C11A 121.08(16) . . ?
C13 C12 H12 121.0 . . ?
C13 C12 C11 118.0(8) . . ?
C11 C12 H12 121.0 . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.1(9) . . ?
C14 C13 H13 120.9 . . ?
C6 C7 H7 120.8 . . ?
C6 C7 C8 118.31(18) . . ?
C8 C7 H7 120.8 . . ?
C11 N2 C15 114.7(5) . . ?
C12 C11 C4 122.8(5) . . ?
N2 C11 C4 111.9(3) . . ?
N2 C11 C12 125.2(4) . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C19 H19A 109.5 . . ?
Si2 C19 H19B 109.5 . . ?
Si2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C7 C8 H8 120.4 . . ?
C9 C8 C7 119.1(2) . . ?
C9 C8 H8 120.4 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.7(8) . . ?
C15 C14 H14 120.7 . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.7(2) . . ?
C10 C9 H9 120.7 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C15 C14 125.2(8) . . ?
N2 C15 H15 117.4 . . ?
C14 C15 H15 117.4 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C10 C9 123.4(2) . . ?
N1 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
P1 Au1A Cl9 171.2(2) . . ?
C13A C12A H12A 119.9 . . ?
C13A C12A C11A 120.2(6) . . ?
C11A C12A H12A 119.9 . . ?
C12A C13A H13A 121.0 . . ?
C12A C13A C14A 118.1(8) . . ?
C14A C13A H13A 121.0 . . ?
C11A N2A C15A 117.5(8) . . ?
C12A C11A C4 122.8(4) . . ?
N2A C11A C4 115.5(5) . . ?
N2A C11A C12A 121.3(4) . . ?
C13A C14A H14A 120.7 . . ?
C13A C14A C15A 118.6(9) . . ?
C15A C14A H14A 120.7 . . ?
N2A C15A C14A 124.2(10) . . ?
N2A C15A H15A 117.9 . . ?
C14A C15A H15A 117.9 . . ?
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 P1 2.2270(15) . ?
Au1 Br1 2.3741(19) . ?
P1 C1 1.7199(19) . ?
P1 C5 1.7213(19) . ?
P1 Au1A 2.200(4) . ?
Si1 C1 1.9136(19) . ?
Si1 C16 1.869(2) . ?
Si1 C18 1.867(2) . ?
Si1 C17 1.856(2) . ?
Si2 C5 1.9116(19) . ?
Si2 C19 1.864(2) . ?
Si2 C20 1.863(2) . ?
Si2 C21 1.866(2) . ?
C1 C2 1.415(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.399(2) . ?
C3 C4 1.398(2) . ?
N1 C6 1.349(2) . ?
N1 C10 1.342(3) . ?
C5 C4 1.406(3) . ?
C2 C6 1.488(2) . ?
C6 C7 1.387(3) . ?
C4 C11 1.494(2) . ?
C4 C11A 1.494(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.375(14) . ?
C12 C11 1.397(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(12) . ?
C7 H7 0.9500 . ?
C7 C8 1.389(3) . ?
N2 C11 1.327(6) . ?
N2 C15 1.333(9) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C8 H8 0.9500 . ?
C8 C9 1.384(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.377(11) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C15 H15 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C10 H10 0.9500 . ?
Cl9 Au1A 2.355(9) . ?
C12A H12A 0.9500 . ?
C12A C13A 1.372(10) . ?
C12A C11A 1.425(8) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.385(12) . ?
N2A C11A 1.337(10) . ?
N2A C15A 1.340(14) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.390(13) . ?
C15A H15A 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 Si1 19.16(15) . . . . ?
Au1 P1 C1 C2 -167.02(12) . . . . ?
Au1 P1 C5 Si2 4.51(16) . . . . ?
Au1 P1 C5 C4 -179.90(12) . . . . ?
P1 C1 C2 C3 -15.1(2) . . . . ?
P1 C1 C2 C6 165.11(14) . . . . ?
P1 C5 C4 C3 -13.0(3) . . . . ?
P1 C5 C4 C11 165.70(14) . . . . ?
P1 C5 C4 C11A 165.70(14) . . . . ?
Si1 C1 C2 C3 158.35(15) . . . . ?
Si1 C1 C2 C6 -21.5(2) . . . . ?
Si2 C5 C4 C3 162.43(15) . . . . ?
Si2 C5 C4 C11 -18.8(2) . . . . ?
Si2 C5 C4 C11A -18.8(2) . . . . ?
C1 P1 C5 Si2 -173.07(10) . . . . ?
C1 P1 C5 C4 2.52(18) . . . . ?
C1 C2 C6 N1 -43.8(2) . . . . ?
C1 C2 C6 C7 137.39(19) . . . . ?
C3 C2 C6 N1 136.39(18) . . . . ?
C3 C2 C6 C7 -42.5(3) . . . . ?
C3 C4 C11 C12 -49.4(8) . . . . ?
C3 C4 C11 N2 130.8(4) . . . . ?
C3 C4 C11A C12A 121.3(4) . . . . ?
C3 C4 C11A N2A -51.6(7) . . . . ?
N1 C6 C7 C8 1.4(3) . . . . ?
C5 P1 C1 Si1 -163.18(10) . . . . ?
C5 P1 C1 C2 10.64(18) . . . . ?
C5 C4 C11 C12 131.8(8) . . . . ?
C5 C4 C11 N2 -48.1(4) . . . . ?
C5 C4 C11A C12A -57.5(4) . . . . ?
C5 C4 C11A N2A 129.5(7) . . . . ?
C2 C3 C4 C5 10.8(3) . . . . ?
C2 C3 C4 C11 -167.99(17) . . . . ?
C2 C3 C4 C11A -167.99(17) . . . . ?
C2 C6 C7 C8 -179.82(18) . . . . ?
C6 N1 C10 C9 -1.2(3) . . . . ?
C6 C7 C8 C9 -1.5(3) . . . . ?
C4 C3 C2 C1 5.3(3) . . . . ?
C4 C3 C2 C6 -174.85(17) . . . . ?
C12 C13 C14 C15 2(2) . . . . ?
C13 C12 C11 C4 179.1(8) . . . . ?
C13 C12 C11 N2 -1.1(14) . . . . ?
C13 C14 C15 N2 -1(2) . . . . ?
C7 C8 C9 C10 0.3(3) . . . . ?
C11 C12 C13 C14 -1.6(18) . . . . ?
C11 N2 C15 C14 -1.9(12) . . . . ?
C8 C9 C10 N1 1.1(4) . . . . ?
C15 N2 C11 C4 -177.4(4) . . . . ?
C15 N2 C11 C12 2.8(7) . . . . ?
C10 N1 C6 C2 -178.90(17) . . . . ?
C10 N1 C6 C7 -0.1(3) . . . . ?
Au1A P1 C1 Si1 22.88(17) . . . . ?
Au1A P1 C1 C2 -163.29(16) . . . . ?
Au1A P1 C5 Si2 0.46(19) . . . . ?
Au1A P1 C5 C4 176.05(15) . . . . ?
C12A C13A C14A C15A 1.2(19) . . . . ?
C13A C12A C11A C4 -174.7(4) . . . . ?
C13A C12A C11A N2A -2.1(7) . . . . ?
C13A C14A C15A N2A 0(2) . . . . ?
C11A C12A C13A C14A -0.2(12) . . . . ?
C11A N2A C15A C14A -2(2) . . . . ?
C15A N2A C11A C4 176.4(9) . . . . ?
C15A N2A C11A C12A 3.3(13) . . . . ?
