#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:02:34 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/52/7705205.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_7705205
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         'C28 H37 Au Cl N2 P'
_chemical_formula_sum            'C28 H37 Au Cl N2 P'
_chemical_formula_weight         664.98
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_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
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.6214(7)
_cell_length_b                   8.4955(3)
_cell_length_c                   14.1420(4)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.88
_cell_volume                     2717.81(15)
_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    'SHELXT-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_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  0.0535
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38610
_diffrn_reflns_point_group_measured_fraction_full 0.932
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.995
_diffrn_reflns_theta_min         1.800
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.589
_exptl_absorpt_correction_T_max  0.47
_exptl_absorpt_correction_T_min  0.31
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.334
_exptl_crystal_size_mid          0.296
_exptl_crystal_size_min          0.161
_refine_diff_density_max         1.433
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details
;
 Flack x determined using 2495 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.007(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         7081
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0306P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0588
_refine_ls_wR_factor_ref         0.0601
_reflns_Friedel_coverage         0.726
_reflns_Friedel_fraction_full    0.858
_reflns_Friedel_fraction_max     0.782
_reflns_number_gt                6527
_reflns_number_total             7081
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02435j2.cif
_cod_data_source_block           ax1653_TerPAuCl_NMe2_2_cmp2a
_cod_depositor_comments
'Adding full bibliography for 7705201--7705209.cif.'
_cod_database_code               7705205
_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   0.257
_shelx_estimated_absorpt_t_max   0.466
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'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 0.42598(2) 0.70729(2) 0.25563(2) 0.02716(5) Uani 1 1 d . . . . .
Cl1 Cl 0.43824(7) 0.8424(2) 0.11590(11) 0.0504(3) Uani 1 1 d . . . . .
P1 P 0.41611(4) 0.58522(12) 0.39486(8) 0.0197(2) Uani 1 1 d . . . . .
N1 N 0.44163(17) 0.4022(4) 0.3946(3) 0.0292(8) Uani 1 1 d . . . . .
N2 N 0.45277(17) 0.6873(4) 0.4757(3) 0.0251(8) Uani 1 1 d . . . . .
C1 C 0.33857(18) 0.5460(5) 0.4280(3) 0.0181(8) Uani 1 1 d . . . . .
C2 C 0.31246(17) 0.5876(4) 0.5153(3) 0.0182(7) Uani 1 1 d . . . . .
C3 C 0.25537(18) 0.5355(5) 0.5360(3) 0.0227(8) Uani 1 1 d . . . . .
H3 H 0.2380 0.5636 0.5948 0.027 Uiso 1 1 calc R U . . .
C4 C 0.22345(18) 0.4443(5) 0.4734(3) 0.0268(9) Uani 1 1 d . . . . .
H4 H 0.1856 0.4050 0.4903 0.032 Uiso 1 1 calc R U . . .
C5 C 0.24752(18) 0.4109(5) 0.3854(3) 0.0256(8) Uani 1 1 d . . . . .
H5 H 0.2251 0.3518 0.3411 0.031 Uiso 1 1 calc R U . . .
C6 C 0.30385(17) 0.4623(4) 0.3607(3) 0.0202(7) Uani 1 1 d . . . . .
C7 C 0.33879(19) 0.6970(4) 0.5874(3) 0.0198(8) Uani 1 1 d . . . . .
C8 C 0.35539(18) 0.6428(5) 0.6770(3) 0.0220(8) Uani 1 1 d . . . . .
C9 C 0.37500(17) 0.7502(5) 0.7450(4) 0.0253(9) Uani 1 1 d . . . . .
H9 H 0.3861 0.7126 0.8058 0.030 Uiso 1 1 calc R U . . .
C10 C 0.37872(19) 0.9109(5) 0.7261(3) 0.0293(9) Uani 1 1 d . . . . .
C11 C 0.3595(2) 0.9618(5) 0.6382(3) 0.0288(9) Uani 1 1 d . . . . .
H11 H 0.3606 1.0712 0.6245 0.035 Uiso 1 1 calc R U . . .
C12 C 0.33894(19) 0.8600(5) 0.5698(3) 0.0245(8) Uani 1 1 d . . . . .
C13 C 0.3542(2) 0.4702(5) 0.7029(3) 0.0304(9) Uani 1 1 d . . . . .
H13A H 0.3910 0.4422 0.7355 0.046 Uiso 1 1 calc R U . . .
H13B H 0.3503 0.4067 0.6454 0.046 Uiso 1 1 calc R U . . .
H13C H 0.3205 0.4496 0.7448 0.046 Uiso 1 1 calc R U . . .
C14 C 0.4027(2) 1.0239(6) 0.7981(4) 0.0414(12) Uani 1 1 d . . . . .
H14A H 0.4390 1.0722 0.7739 0.062 Uiso 1 1 calc R U . . .
H14B H 0.4114 0.9672 0.8568 0.062 Uiso 1 1 calc R U . . .
H14C H 0.3733 1.1061 0.8107 0.062 Uiso 1 1 calc R U . . .
C15 C 0.3166(2) 0.9232(5) 0.4765(3) 0.0317(10) Uani 1 1 d . . . . .
H15A H 0.3103 1.0370 0.4817 0.048 Uiso 1 1 calc R U . . .
H15B H 0.2792 0.8716 0.4604 0.048 Uiso 1 1 calc R U . . .
H15C H 0.3458 0.9019 0.4269 0.048 Uiso 1 1 calc R U . . .
C16 C 0.32090(14) 0.4406(4) 0.2573(4) 0.0210(6) Uani 1 1 d . . . . .
C17 C 0.3438(2) 0.2997(4) 0.2214(3) 0.0245(9) Uani 1 1 d . . . . .
C18 C 0.3563(2) 0.2892(5) 0.1252(3) 0.0279(9) Uani 1 1 d . . . . .
H18 H 0.3740 0.1959 0.1013 0.034 Uiso 1 1 calc R U . . .
C19 C 0.3437(2) 0.4102(6) 0.0634(3) 0.0286(9) Uani 1 1 d . . . . .
C20 C 0.3177(2) 0.5446(5) 0.0995(3) 0.0296(10) Uani 1 1 d . . . . .
H20 H 0.3077 0.6275 0.0574 0.035 Uiso 1 1 calc R U . . .
C21 C 0.30587(19) 0.5629(5) 0.1953(3) 0.0252(8) Uani 1 1 d . . . . .
C22 C 0.3528(3) 0.1568(6) 0.2823(3) 0.0417(13) Uani 1 1 d . . . . .
H22A H 0.3238 0.0760 0.2651 0.063 Uiso 1 1 calc R U . . .
H22B H 0.3477 0.1855 0.3489 0.063 Uiso 1 1 calc R U . . .
H22C H 0.3928 0.1155 0.2725 0.063 Uiso 1 1 calc R U . . .
C23 C 0.3562(3) 0.3947(7) -0.0410(3) 0.0400(12) Uani 1 1 d . . . . .
H23A H 0.3414 0.4879 -0.0742 0.060 Uiso 1 1 calc R U . . .
H23B H 0.3365 0.3005 -0.0656 0.060 Uiso 1 1 calc R U . . .
H23C H 0.3989 0.3854 -0.0510 0.060 Uiso 1 1 calc R U . . .
C24 C 0.2751(2) 0.7100(5) 0.2289(4) 0.0329(11) Uani 1 1 d . . . . .
H24A H 0.2699 0.7825 0.1757 0.049 Uiso 1 1 calc R U . . .
H24B H 0.2990 0.7608 0.2780 0.049 Uiso 1 1 calc R U . . .
H24C H 0.2363 0.6824 0.2550 0.049 Uiso 1 1 calc R U . . .
C25 C 0.4974(2) 0.3712(7) 0.3472(5) 0.0502(15) Uani 1 1 d . . . . .
H25A H 0.5297 0.3765 0.3932 0.075 Uiso 1 1 calc R U . . .
H25B H 0.5037 0.4501 0.2977 0.075 Uiso 1 1 calc R U . . .
H25C H 0.4963 0.2660 0.3188 0.075 Uiso 1 1 calc R U . . .
C26 C 0.4292(2) 0.2863(5) 0.4694(5) 0.0366(13) Uani 1 1 d . . . . .
H26A H 0.4251 0.1815 0.4412 0.055 Uiso 1 1 calc R U . . .
H26B H 0.3924 0.3147 0.5017 0.055 Uiso 1 1 calc R U . . .
H26C H 0.4618 0.2856 0.5150 0.055 Uiso 1 1 calc R U . . .
C27 C 0.4729(2) 0.8485(6) 0.4611(4) 0.0355(11) Uani 1 1 d . . . . .
H27A H 0.4555 0.9169 0.5095 0.053 Uiso 1 1 calc R U . . .
H27B H 0.4606 0.8845 0.3983 0.053 Uiso 1 1 calc R U . . .
H27C H 0.5161 0.8524 0.4658 0.053 Uiso 1 1 calc R U . . .
C28 C 0.4764(2) 0.6182(6) 0.5624(3) 0.0334(10) Uani 1 1 d . . . . .
H28A H 0.5181 0.5915 0.5532 0.050 Uiso 1 1 calc R U . . .
H28B H 0.4541 0.5227 0.5779 0.050 Uiso 1 1 calc R U . . .
H28C H 0.4727 0.6941 0.6143 0.050 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
P1 Au1 Cl1 177.37(5) . . ?
N2 P1 N1 108.5(2) . . ?
N2 P1 C1 113.3(2) . . ?
N1 P1 C1 99.33(19) . . ?
N2 P1 Au1 108.33(13) . . ?
N1 P1 Au1 113.47(16) . . ?
C1 P1 Au1 113.70(13) . . ?
C25 N1 C26 112.1(4) . . ?
C25 N1 P1 118.2(3) . . ?
C26 N1 P1 124.0(3) . . ?
C27 N2 C28 112.5(4) . . ?
C27 N2 P1 123.4(3) . . ?
C28 N2 P1 123.5(3) . . ?
C2 C1 C6 118.5(4) . . ?
C2 C1 P1 125.0(3) . . ?
C6 C1 P1 116.4(3) . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 C7 114.8(3) . . ?
C1 C2 C7 125.6(4) . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 121.3(4) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C1 119.6(3) . . ?
C5 C6 C16 115.7(3) . . ?
C1 C6 C16 124.2(3) . . ?
C8 C7 C12 118.9(4) . . ?
C8 C7 C2 121.1(3) . . ?
C12 C7 C2 119.3(3) . . ?
C9 C8 C7 119.6(4) . . ?
C9 C8 C13 118.1(4) . . ?
C7 C8 C13 122.3(4) . . ?
C10 C9 C8 121.8(4) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C11 C10 C9 117.3(4) . . ?
C11 C10 C14 121.5(4) . . ?
C9 C10 C14 121.2(4) . . ?
C12 C11 C10 122.7(4) . . ?
C12 C11 H11 118.7 . . ?
C10 C11 H11 118.7 . . ?
C11 C12 C7 119.6(4) . . ?
C11 C12 C15 120.2(4) . . ?
C7 C12 C15 120.2(4) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 119.8(5) . . ?
C17 C16 C6 123.0(4) . . ?
C21 C16 C6 116.7(3) . . ?
C18 C17 C16 118.9(4) . . ?
C18 C17 C22 118.8(4) . . ?
C16 C17 C22 122.3(4) . . ?
C19 C18 C17 122.0(4) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C18 C19 C20 118.0(4) . . ?
C18 C19 C23 121.0(4) . . ?
C20 C19 C23 120.9(4) . . ?
C19 C20 C21 122.3(4) . . ?
C19 C20 H20 118.8 . . ?
C21 C20 H20 118.8 . . ?
C20 C21 C16 118.7(4) . . ?
C20 C21 C24 119.3(4) . . ?
C16 C21 C24 122.0(4) . . ?
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 H25A 109.5 . . ?
N1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N2 C28 H28A 109.5 . . ?
N2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
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 2.2366(11) . ?
Au1 Cl1 2.3017(14) . ?
P1 N2 1.657(4) . ?
P1 N1 1.659(4) . ?
P1 C1 1.846(4) . ?
N1 C25 1.453(6) . ?
N1 C26 1.472(7) . ?
N2 C27 1.457(6) . ?
N2 C28 1.461(6) . ?
C1 C2 1.413(5) . ?
C1 C6 1.424(5) . ?
C2 C3 1.397(5) . ?
C2 C7 1.503(6) . ?
C3 C4 1.380(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(6) . ?
C5 H5 0.9500 . ?
C6 C16 1.524(6) . ?
C7 C8 1.399(6) . ?
C7 C12 1.407(6) . ?
C8 C9 1.399(6) . ?
C8 C13 1.512(6) . ?
C9 C10 1.394(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(7) . ?
C10 C14 1.501(6) . ?
C11 C12 1.378(6) . ?
C11 H11 0.9500 . ?
C12 C15 1.512(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.400(5) . ?
C16 C21 1.401(6) . ?
C17 C18 1.393(6) . ?
C17 C22 1.502(6) . ?
C18 C19 1.379(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.381(7) . ?
C19 C23 1.510(6) . ?
C20 C21 1.390(6) . ?
C20 H20 0.9500 . ?
C21 C24 1.507(6) . ?
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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
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
N2 P1 N1 C25 -78.1(4) . . . . ?
C1 P1 N1 C25 163.4(4) . . . . ?
Au1 P1 N1 C25 42.3(4) . . . . ?
N2 P1 N1 C26 73.2(4) . . . . ?
C1 P1 N1 C26 -45.3(4) . . . . ?
Au1 P1 N1 C26 -166.3(3) . . . . ?
N1 P1 N2 C27 139.0(4) . . . . ?
C1 P1 N2 C27 -111.8(4) . . . . ?
Au1 P1 N2 C27 15.4(4) . . . . ?
N1 P1 N2 C28 -31.0(4) . . . . ?
C1 P1 N2 C28 78.2(4) . . . . ?
Au1 P1 N2 C28 -154.6(3) . . . . ?
N2 P1 C1 C2 -4.0(4) . . . . ?
N1 P1 C1 C2 110.9(4) . . . . ?
Au1 P1 C1 C2 -128.2(3) . . . . ?
N2 P1 C1 C6 178.4(3) . . . . ?
N1 P1 C1 C6 -66.7(3) . . . . ?
Au1 P1 C1 C6 54.2(3) . . . . ?
C6 C1 C2 C3 4.9(5) . . . . ?
P1 C1 C2 C3 -172.7(3) . . . . ?
C6 C1 C2 C7 -169.6(3) . . . . ?
P1 C1 C2 C7 12.8(6) . . . . ?
C1 C2 C3 C4 -0.1(6) . . . . ?
C7 C2 C3 C4 175.0(4) . . . . ?
C2 C3 C4 C5 -3.6(6) . . . . ?
C3 C4 C5 C6 2.5(6) . . . . ?
C4 C5 C6 C1 2.3(6) . . . . ?
C4 C5 C6 C16 -170.6(4) . . . . ?
C2 C1 C6 C5 -5.9(5) . . . . ?
P1 C1 C6 C5 171.8(3) . . . . ?
C2 C1 C6 C16 166.3(3) . . . . ?
P1 C1 C6 C16 -16.0(5) . . . . ?
C3 C2 C7 C8 70.2(5) . . . . ?
C1 C2 C7 C8 -115.1(5) . . . . ?
C3 C2 C7 C12 -100.6(4) . . . . ?
C1 C2 C7 C12 74.1(5) . . . . ?
C12 C7 C8 C9 -3.7(6) . . . . ?
C2 C7 C8 C9 -174.5(4) . . . . ?
C12 C7 C8 C13 177.6(4) . . . . ?
C2 C7 C8 C13 6.7(6) . . . . ?
C7 C8 C9 C10 -0.2(6) . . . . ?
C13 C8 C9 C10 178.6(4) . . . . ?
C8 C9 C10 C11 2.9(6) . . . . ?
C8 C9 C10 C14 -176.9(4) . . . . ?
C9 C10 C11 C12 -1.8(6) . . . . ?
C14 C10 C11 C12 178.1(4) . . . . ?
C10 C11 C12 C7 -2.1(6) . . . . ?
C10 C11 C12 C15 177.8(4) . . . . ?
C8 C7 C12 C11 4.8(6) . . . . ?
C2 C7 C12 C11 175.9(4) . . . . ?
C8 C7 C12 C15 -175.1(4) . . . . ?
C2 C7 C12 C15 -4.0(6) . . . . ?
C5 C6 C16 C17 -84.3(5) . . . . ?
C1 C6 C16 C17 103.2(5) . . . . ?
C5 C6 C16 C21 88.0(4) . . . . ?
C1 C6 C16 C21 -84.5(5) . . . . ?
C21 C16 C17 C18 5.8(6) . . . . ?
C6 C16 C17 C18 177.8(4) . . . . ?
C21 C16 C17 C22 -171.3(4) . . . . ?
C6 C16 C17 C22 0.8(6) . . . . ?
C16 C17 C18 C19 -3.6(7) . . . . ?
C22 C17 C18 C19 173.5(4) . . . . ?
C17 C18 C19 C20 -0.2(7) . . . . ?
C17 C18 C19 C23 -178.5(5) . . . . ?
C18 C19 C20 C21 2.0(7) . . . . ?
C23 C19 C20 C21 -179.7(5) . . . . ?
C19 C20 C21 C16 0.1(7) . . . . ?
C19 C20 C21 C24 -177.4(4) . . . . ?
C17 C16 C21 C20 -4.1(6) . . . . ?
C6 C16 C21 C20 -176.6(4) . . . . ?
C17 C16 C21 C24 173.4(4) . . . . ?
C6 C16 C21 C24 0.8(6) . . . . ?
