#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:02:34 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705203.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_7705203
loop_
_publ_author_name
'Siewert, Jan-Erik'
'Schumann, André'
'Fischer, Malte'
'Schmidt, Christoph'
'Taeufer, Tobias'
'Hering-Junghans, Christian'
_publ_section_title
;
 Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12354
_journal_page_last               12364
_journal_paper_doi               10.1039/d0dt02435j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C32 H45 Au Cl P N2'
_chemical_formula_sum            'C32 H45 Au Cl N2 P'
_chemical_formula_weight         721.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-07 deposited with the CCDC.	2020-08-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.233(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7135(7)
_cell_length_b                   25.580(2)
_cell_length_c                   13.8947(11)
_cell_measurement_reflns_used    9374
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.44
_cell_measurement_theta_min      2.47
_cell_volume                     3097.0(4)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0317
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            88092
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.592
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.911
_exptl_absorpt_correction_T_max  0.68
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_description       prism
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.086
_refine_diff_density_max         1.254
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0180
_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)+(0.0194P)²+2.6797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0412
_refine_ls_wR_factor_ref         0.0427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6387
_reflns_number_total             7114
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02435j2.cif
_cod_data_source_block           ax1345_num_TerPNEt22_AuCl_cmp2b
_cod_depositor_comments
'Adding full bibliography for 7705201--7705209.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705203
_shelx_shelxl_version_number     2014/7
_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   0.271
_shelx_estimated_absorpt_t_max   0.677
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 0.5266(2) 0.66795(8) 0.25400(14) 0.0164(4) Uani 1 1 d . . . . .
C2 C 0.5657(2) 0.68839(8) 0.16263(14) 0.0181(4) Uani 1 1 d . . . . .
C3 C 0.5146(3) 0.73828(8) 0.13628(15) 0.0230(4) Uani 1 1 d . . . . .
H3 H 0.5407 0.7514 0.0745 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4279(3) 0.76901(9) 0.19661(16) 0.0261(5) Uani 1 1 d . . . . .
H4 H 0.3913 0.8022 0.1762 0.031 Uiso 1 1 calc R U . . .
C5 C 0.3953(3) 0.75035(8) 0.28760(15) 0.0238(4) Uani 1 1 d . . . . .
H5 H 0.3379 0.7716 0.3304 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4446(2) 0.70110(8) 0.31831(14) 0.0185(4) Uani 1 1 d . . . . .
C7A C 0.6675(2) 0.66369(8) 0.08823(14) 0.0197(4) Uani 1 1 d . . . . .
C8A C 0.8275(3) 0.66535(9) 0.10128(16) 0.0240(4) Uani 1 1 d . . . . .
C9A C 0.9209(3) 0.64648(9) 0.02770(17) 0.0297(5) Uani 1 1 d . . . . .
H9A H 1.0290 0.6469 0.0366 0.036 Uiso 1 1 calc R U . . .
C10A C 0.8616(3) 0.62720(10) -0.05801(17) 0.0315(5) Uani 1 1 d . . . . .
C11A C 0.7034(3) 0.62776(9) -0.07064(15) 0.0279(5) Uani 1 1 d . . . . .
H11A H 0.6610 0.6154 -0.1295 0.033 Uiso 1 1 calc R U . . .
C12A C 0.6053(3) 0.64597(8) 0.00097(15) 0.0225(4) Uani 1 1 d . . . . .
C13A C 0.8971(3) 0.68891(10) 0.19029(16) 0.0292(5) Uani 1 1 d . . . . .
H13A H 1.0093 0.6875 0.1859 0.044 Uiso 1 1 calc R U . . .
H13B H 0.8634 0.6692 0.2469 0.044 Uiso 1 1 calc R U . . .
H13C H 0.8642 0.7254 0.1962 0.044 Uiso 1 1 calc R U . . .
C14A C 0.9666(4) 0.60672(12) -0.1356(2) 0.0470(7) Uani 1 1 d . . . . .
H14A H 1.0497 0.6318 -0.1466 0.070 Uiso 1 1 calc R U . . .
H14B H 0.9080 0.6019 -0.1954 0.070 Uiso 1 1 calc R U . . .
H14C H 1.0101 0.5731 -0.1154 0.070 Uiso 1 1 calc R U . . .
C15A C 0.4345(3) 0.64610(9) -0.01697(16) 0.0281(5) Uani 1 1 d . . . . .
H15A H 0.3809 0.6366 0.0424 0.042 Uiso 1 1 calc R U . . .
H15B H 0.4095 0.6207 -0.0675 0.042 Uiso 1 1 calc R U . . .
H15C H 0.4020 0.6811 -0.0375 0.042 Uiso 1 1 calc R U . . .
C16 C 0.4176(2) 0.69015(8) 0.42319(14) 0.0185(4) Uani 1 1 d . . . . .
C17 C 0.5355(2) 0.70299(8) 0.48866(15) 0.0213(4) Uani 1 1 d . . . . .
C18 C 0.5146(3) 0.69314(9) 0.58584(15) 0.0261(5) Uani 1 1 d . . . . .
H18 H 0.5948 0.7014 0.6299 0.031 Uiso 1 1 calc R U . . .
C19 C 0.3798(3) 0.67155(9) 0.62030(16) 0.0293(5) Uani 1 1 d . . . . .
C20 C 0.2599(3) 0.66332(9) 0.55648(16) 0.0269(5) Uani 1 1 d . . . . .
H20 H 0.1650 0.6504 0.5799 0.032 Uiso 1 1 calc R U . . .
C21 C 0.2756(2) 0.67361(8) 0.45855(15) 0.0221(4) Uani 1 1 d . . . . .
C22 C 0.6802(3) 0.73037(9) 0.45568(16) 0.0283(5) Uani 1 1 d . . . . .
H22A H 0.6555 0.7663 0.4367 0.042 Uiso 1 1 calc R U . . .
H22B H 0.7235 0.7116 0.4006 0.042 Uiso 1 1 calc R U . . .
H22C H 0.7552 0.7309 0.5084 0.042 Uiso 1 1 calc R U . . .
C23 C 0.3620(4) 0.65877(13) 0.72638(18) 0.0462(7) Uani 1 1 d . . . . .
H23A H 0.2694 0.6758 0.7512 0.069 Uiso 1 1 calc R U . . .
H23B H 0.4519 0.6715 0.7619 0.069 Uiso 1 1 calc R U . . .
H23C H 0.3532 0.6208 0.7345 0.069 Uiso 1 1 calc R U . . .
C24 C 0.1355(3) 0.67000(11) 0.39510(18) 0.0319(5) Uani 1 1 d . . . . .
H24A H 0.0731 0.6400 0.4149 0.048 Uiso 1 1 calc R U . . .
H24B H 0.1672 0.6654 0.3280 0.048 Uiso 1 1 calc R U . . .
H24C H 0.0752 0.7021 0.4010 0.048 Uiso 1 1 calc R U . . .
C25 C 0.6479(2) 0.54609(8) 0.13531(15) 0.0218(4) Uani 1 1 d . . . . .
H25A H 0.7275 0.5534 0.0865 0.026 Uiso 1 1 calc R U . . .
H25B H 0.5527 0.5640 0.1144 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6179(3) 0.48748(9) 0.13689(18) 0.0332(5) Uani 1 1 d . . . . .
H26A H 0.7156 0.4688 0.1425 0.050 Uiso 1 1 calc R U . . .
H26B H 0.5660 0.4771 0.0772 0.050 Uiso 1 1 calc R U . . .
H26C H 0.5527 0.4788 0.1920 0.050 Uiso 1 1 calc R U . . .
C27 C 0.8585(2) 0.55894(9) 0.25409(17) 0.0257(5) Uani 1 1 d . . . . .
H27A H 0.8930 0.5875 0.2972 0.031 Uiso 1 1 calc R U . . .
H27B H 0.9221 0.5605 0.1953 0.031 Uiso 1 1 calc R U . . .
C28 C 0.8887(3) 0.50704(10) 0.30410(18) 0.0331(5) Uani 1 1 d . . . . .
H28A H 0.8230 0.5041 0.3609 0.050 Uiso 1 1 calc R U . . .
H28B H 0.9966 0.5052 0.3239 0.050 Uiso 1 1 calc R U . . .
H28C H 0.8660 0.4783 0.2597 0.050 Uiso 1 1 calc R U . . .
C29 C 0.3950(3) 0.52432(8) 0.35764(15) 0.0246(5) Uani 1 1 d . . . . .
H29A H 0.4982 0.5101 0.3723 0.029 Uiso 1 1 calc R U . . .
H29B H 0.3364 0.4968 0.3233 0.029 Uiso 1 1 calc R U . . .
C30 C 0.3148(3) 0.53688(10) 0.45087(18) 0.0364(6) Uani 1 1 d . . . . .
H30A H 0.3748 0.5628 0.4868 0.055 Uiso 1 1 calc R U . . .
H30B H 0.3048 0.5050 0.4894 0.055 Uiso 1 1 calc R U . . .
H30C H 0.2126 0.5510 0.4370 0.055 Uiso 1 1 calc R U . . .
C31 C 0.2798(2) 0.58119(9) 0.23079(15) 0.0233(4) Uani 1 1 d . . . . .
H31A H 0.2979 0.6151 0.1983 0.028 Uiso 1 1 calc R U . . .
H31B H 0.1877 0.5853 0.2716 0.028 Uiso 1 1 calc R U . . .
C32 C 0.2447(3) 0.54018(11) 0.15383(18) 0.0348(6) Uani 1 1 d . . . . .
H32A H 0.3329 0.5368 0.1107 0.052 Uiso 1 1 calc R U . . .
H32B H 0.1543 0.5510 0.1167 0.052 Uiso 1 1 calc R U . . .
H32C H 0.2246 0.5064 0.1847 0.052 Uiso 1 1 calc R U . . .
N1 N 0.69748(19) 0.56882(7) 0.22673(12) 0.0189(3) Uani 1 1 d . . . . .
N2 N 0.41140(19) 0.57021(7) 0.29358(12) 0.0187(3) Uani 1 1 d . . . . .
P1 P 0.57804(6) 0.60161(2) 0.29806(3) 0.01419(9) Uani 1 1 d . . . . .
Cl1 Cl 0.82471(7) 0.59956(2) 0.58765(4) 0.03260(13) Uani 1 1 d . . . . .
Au1 Au 0.69080(2) 0.60260(2) 0.44358(2) 0.02022(3) 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
C2 C1 C6 117.73(18) . . ?
C2 C1 P1 125.03(15) . . ?
C6 C1 P1 117.22(14) . . ?
C3 C2 C1 119.59(19) . . ?
C3 C2 C7A 113.02(18) . . ?
C1 C2 C7A 127.29(18) . . ?
C4 C3 C2 122.40(19) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C3 C4 C5 118.4(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C4 C5 C6 121.8(2) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 119.93(19) . . ?
C5 C6 C16 114.51(18) . . ?
C1 C6 C16 125.28(18) . . ?
C12A C7A C8A 120.1(2) . . ?
C12A C7A C2 120.20(18) . . ?
C8A C7A C2 119.09(18) . . ?
C9A C8A C7A 118.4(2) . . ?
C9A C8A C13A 120.5(2) . . ?
C7A C8A C13A 121.0(2) . . ?
C10A C9A C8A 122.4(2) . . ?
C10A C9A H9A 118.8 . . ?
C8A C9A H9A 118.8 . . ?
C9A C10A C11A 118.1(2) . . ?
C9A C10A C14A 120.8(2) . . ?
C11A C10A C14A 121.1(2) . . ?
C10A C11A C12A 121.6(2) . . ?
C10A C11A H11A 119.2 . . ?
C12A C11A H11A 119.2 . . ?
C11A C12A C7A 119.3(2) . . ?
C11A C12A C15A 119.4(2) . . ?
C7A C12A C15A 121.36(19) . . ?
C8A C13A H13A 109.5 . . ?
C8A C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C8A C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C10A C14A H14A 109.5 . . ?
C10A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C10A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C12A C15A H15A 109.5 . . ?
C12A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C12A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C21 C16 C17 119.19(19) . . ?
C21 C16 C6 122.63(18) . . ?
C17 C16 C6 117.76(18) . . ?
C18 C17 C16 119.2(2) . . ?
C18 C17 C22 119.42(19) . . ?
C16 C17 C22 121.22(19) . . ?
C19 C18 C17 121.6(2) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C20 C19 C18 118.6(2) . . ?
C20 C19 C23 120.7(2) . . ?
C18 C19 C23 120.7(2) . . ?
C19 C20 C21 121.4(2) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C20 C21 C16 119.4(2) . . ?
C20 C21 C24 118.6(2) . . ?
C16 C21 C24 121.9(2) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 C26 115.46(18) . . ?
N1 C25 H25A 108.4 . . ?
C26 C25 H25A 108.4 . . ?
N1 C25 H25B 108.4 . . ?
C26 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N1 C27 C28 115.49(19) . . ?
N1 C27 H27A 108.4 . . ?
C28 C27 H27A 108.4 . . ?
N1 C27 H27B 108.4 . . ?
C28 C27 H27B 108.4 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 C30 113.18(19) . . ?
N2 C29 H29A 108.9 . . ?
C30 C29 H29A 108.9 . . ?
N2 C29 H29B 108.9 . . ?
C30 C29 H29B 108.9 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N2 C31 C32 116.01(19) . . ?
N2 C31 H31A 108.3 . . ?
C32 C31 H31A 108.3 . . ?
N2 C31 H31B 108.3 . . ?
C32 C31 H31B 108.3 . . ?
H31A C31 H31B 107.4 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C25 N1 C27 115.72(17) . . ?
C25 N1 P1 122.29(14) . . ?
C27 N1 P1 121.93(14) . . ?
C31 N2 C29 115.64(17) . . ?
C31 N2 P1 127.72(14) . . ?
C29 N2 P1 116.59(14) . . ?
N2 P1 N1 106.40(9) . . ?
N2 P1 C1 102.69(9) . . ?
N1 P1 C1 114.46(9) . . ?
N2 P1 Au1 114.76(6) . . ?
N1 P1 Au1 105.62(6) . . ?
C1 P1 Au1 113.00(6) . . ?
P1 Au1 Cl1 174.96(2) . . ?
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 C2 1.416(3) . ?
C1 C6 1.426(3) . ?
C1 P1 1.858(2) . ?
C2 C3 1.400(3) . ?
C2 C7A 1.504(3) . ?
C3 C4 1.377(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(3) . ?
C5 H5 0.9500 . ?
C6 C16 1.503(3) . ?
C7A C12A 1.402(3) . ?
C7A C8A 1.405(3) . ?
C8A C9A 1.395(3) . ?
C8A C13A 1.502(3) . ?
C9A C10A 1.387(4) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.389(3) . ?
C10A C14A 1.511(3) . ?
C11A C12A 1.395(3) . ?
C11A H11A 0.9500 . ?
C12A C15A 1.508(3) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16 C21 1.398(3) . ?
C16 C17 1.408(3) . ?
C17 C18 1.386(3) . ?
C17 C22 1.515(3) . ?
C18 C19 1.386(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(3) . ?
C19 C23 1.518(3) . ?
C20 C21 1.393(3) . ?
C20 H20 0.9500 . ?
C21 C24 1.506(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 N1 1.461(3) . ?
C25 C26 1.522(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 N1 1.474(3) . ?
C27 C28 1.521(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 N2 1.480(3) . ?
C29 C30 1.509(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 N2 1.465(3) . ?
C31 C32 1.528(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N1 P1 1.6665(17) . ?
N2 P1 1.6604(17) . ?
P1 Au1 2.2445(5) . ?
Cl1 Au1 2.3143(5) . ?
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
C6 C1 C2 C3 -4.2(3) . . . . ?
P1 C1 C2 C3 177.34(15) . . . . ?
C6 C1 C2 C7A 171.81(19) . . . . ?
P1 C1 C2 C7A -6.6(3) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C7A C2 C3 C4 -175.9(2) . . . . ?
C2 C3 C4 C5 2.4(3) . . . . ?
C3 C4 C5 C6 -1.6(3) . . . . ?
C4 C5 C6 C1 -2.1(3) . . . . ?
C4 C5 C6 C16 172.2(2) . . . . ?
C2 C1 C6 C5 4.9(3) . . . . ?
P1 C1 C6 C5 -176.52(16) . . . . ?
C2 C1 C6 C16 -168.62(18) . . . . ?
P1 C1 C6 C16 9.9(3) . . . . ?
C3 C2 C7A C12A -71.7(3) . . . . ?
C1 C2 C7A C12A 112.0(2) . . . . ?
C3 C2 C7A C8A 99.3(2) . . . . ?
C1 C2 C7A C8A -76.9(3) . . . . ?
C12A C7A C8A C9A -3.3(3) . . . . ?
C2 C7A C8A C9A -174.36(19) . . . . ?
C12A C7A C8A C13A 174.1(2) . . . . ?
C2 C7A C8A C13A 3.1(3) . . . . ?
C7A C8A C9A C10A 1.3(3) . . . . ?
C13A C8A C9A C10A -176.2(2) . . . . ?
C8A C9A C10A C11A 1.1(4) . . . . ?
C8A C9A C10A C14A -179.5(2) . . . . ?
C9A C10A C11A C12A -1.4(4) . . . . ?
C14A C10A C11A C12A 179.2(2) . . . . ?
C10A C11A C12A C7A -0.6(3) . . . . ?
C10A C11A C12A C15A 179.5(2) . . . . ?
C8A C7A C12A C11A 3.0(3) . . . . ?
C2 C7A C12A C11A 173.97(19) . . . . ?
C8A C7A C12A C15A -177.1(2) . . . . ?
C2 C7A C12A C15A -6.2(3) . . . . ?
C5 C6 C16 C21 81.4(3) . . . . ?
C1 C6 C16 C21 -104.7(2) . . . . ?
C5 C6 C16 C17 -91.2(2) . . . . ?
C1 C6 C16 C17 82.7(3) . . . . ?
C21 C16 C17 C18 7.5(3) . . . . ?
C6 C16 C17 C18 -179.65(19) . . . . ?
C21 C16 C17 C22 -168.6(2) . . . . ?
C6 C16 C17 C22 4.2(3) . . . . ?
C16 C17 C18 C19 -0.8(3) . . . . ?
C22 C17 C18 C19 175.4(2) . . . . ?
C17 C18 C19 C20 -4.7(3) . . . . ?
C17 C18 C19 C23 177.2(2) . . . . ?
C18 C19 C20 C21 3.5(3) . . . . ?
C23 C19 C20 C21 -178.4(2) . . . . ?
C19 C20 C21 C16 3.2(3) . . . . ?
C19 C20 C21 C24 -172.7(2) . . . . ?
C17 C16 C21 C20 -8.7(3) . . . . ?
C6 C16 C21 C20 178.86(19) . . . . ?
C17 C16 C21 C24 167.1(2) . . . . ?
C6 C16 C21 C24 -5.4(3) . . . . ?
C26 C25 N1 C27 76.1(2) . . . . ?
C26 C25 N1 P1 -101.3(2) . . . . ?
C28 C27 N1 C25 -83.9(2) . . . . ?
C28 C27 N1 P1 93.5(2) . . . . ?
C32 C31 N2 C29 -65.7(2) . . . . ?
C32 C31 N2 P1 111.7(2) . . . . ?
C30 C29 N2 C31 -85.6(2) . . . . ?
C30 C29 N2 P1 96.8(2) . . . . ?
C31 N2 P1 N1 -94.45(18) . . . . ?
C29 N2 P1 N1 82.92(16) . . . . ?
C31 N2 P1 C1 26.13(19) . . . . ?
C29 N2 P1 C1 -156.51(15) . . . . ?
C31 N2 P1 Au1 149.14(16) . . . . ?
C29 N2 P1 Au1 -33.50(16) . . . . ?
C25 N1 P1 N2 38.84(18) . . . . ?
C27 N1 P1 N2 -138.39(16) . . . . ?
C25 N1 P1 C1 -73.83(18) . . . . ?
C27 N1 P1 C1 108.94(17) . . . . ?
C25 N1 P1 Au1 161.22(14) . . . . ?
C27 N1 P1 Au1 -16.01(17) . . . . ?
C2 C1 P1 N2 -106.92(17) . . . . ?
C6 C1 P1 N2 74.66(16) . . . . ?
C2 C1 P1 N1 7.9(2) . . . . ?
C6 C1 P1 N1 -170.49(14) . . . . ?
C2 C1 P1 Au1 128.90(15) . . . . ?
C6 C1 P1 Au1 -49.53(16) . . . . ?
