#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:52:52 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/47/7704751.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_7704751
loop_
_publ_author_name
'Gericke, Robert'
'Wagler, Jörg'
_publ_section_title
;
 (2-Pyridyloxy)arsines as ligands in transition metal chemistry: a
 stepwise As(iii) → As(ii) → As(i) reduction.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10042
_journal_page_last               10051
_journal_paper_doi               10.1039/d0dt01538e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C46 H38 As Au Cl2 N2 O2 P2 Ru, C H Cl3'
_chemical_formula_sum            'C47 H39 As Au Cl5 N2 O2 P2 Ru'
_chemical_formula_weight         1275.95
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                97.133(4)
_cell_angle_beta                 102.510(4)
_cell_angle_gamma                94.659(4)
_cell_formula_units_Z            2
_cell_length_a                   12.3889(6)
_cell_length_b                   12.8306(6)
_cell_length_c                   15.0564(7)
_cell_measurement_reflns_used    55760
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.69
_cell_volume                     2303.93(19)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            48246
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         2.692
_exptl_absorpt_coefficient_mu    4.622
_exptl_absorpt_correction_T_max  0.9238
_exptl_absorpt_correction_T_min  0.3553
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_description       needle
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.274
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         11109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0333
_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)+(0.0396P)²+4.9633P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0854
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9248
_reflns_number_total             11109
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01538e2.cif
_cod_data_source_block           RGP259B01
_cod_depositor_comments
'Adding full bibliography for 7704746--7704751.cif.'
_cod_database_code               7704751
_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_min   0.247
_shelx_estimated_absorpt_t_max   0.913
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 0.41781(2) 0.19889(2) 1.04836(2) 0.02987(5) Uani 1 1 d . . . . .
Ru1 Ru 0.23683(2) 0.22960(2) 0.76838(2) 0.02133(7) Uani 1 1 d . . . . .
As1 As 0.37653(3) 0.22980(3) 0.89616(3) 0.02497(8) Uani 1 1 d . . . . .
Cl1 Cl 0.11136(9) 0.23522(9) 0.61857(7) 0.0353(2) Uani 1 1 d . . . . .
Cl2 Cl 0.45224(10) 0.15921(10) 1.19521(8) 0.0426(3) Uani 1 1 d . . . . .
P1 P 0.16073(8) 0.04952(7) 0.75502(6) 0.02192(18) Uani 1 1 d . . . . .
P2 P 0.12368(8) 0.32608(7) 0.85076(7) 0.02386(19) Uani 1 1 d . . . . .
O1 O 0.4728(2) 0.1503(2) 0.8437(2) 0.0318(6) Uani 1 1 d . . . . .
O2 O 0.4611(3) 0.3557(3) 0.8964(3) 0.0466(8) Uani 1 1 d . . . . .
N1 N 0.3633(3) 0.1708(3) 0.7017(2) 0.0253(6) Uani 1 1 d . . . . .
N2 N 0.3322(3) 0.3774(3) 0.7637(2) 0.0292(7) Uani 1 1 d . . . . .
C1 C 0.4559(3) 0.1406(3) 0.7523(3) 0.0279(8) Uani 1 1 d . . . . .
C2 C 0.5378(4) 0.0988(4) 0.7120(4) 0.0390(10) Uani 1 1 d . . . . .
H2 H 0.599976 0.073880 0.748793 0.047 Uiso 1 1 calc R U . . .
C3 C 0.5278(4) 0.0940(4) 0.6194(4) 0.0438(11) Uani 1 1 d . . . . .
H3 H 0.583063 0.066416 0.591145 0.053 Uiso 1 1 calc R U . . .
C4 C 0.4357(4) 0.1302(4) 0.5673(3) 0.0441(11) Uani 1 1 d . . . . .
H4 H 0.427935 0.129788 0.503103 0.053 Uiso 1 1 calc R U . . .
C5 C 0.3554(4) 0.1668(4) 0.6102(3) 0.0346(9) Uani 1 1 d . . . . .
H5 H 0.291855 0.190236 0.573877 0.041 Uiso 1 1 calc R U . . .
C6 C 0.4300(4) 0.4085(3) 0.8242(4) 0.0379(10) Uani 1 1 d . . . . .
C7 C 0.4997(5) 0.4970(4) 0.8192(5) 0.0534(14) Uani 1 1 d . . . . .
H7 H 0.569331 0.514982 0.862062 0.064 Uiso 1 1 calc R U . . .
C8 C 0.4672(6) 0.5576(4) 0.7521(4) 0.0581(16) Uani 1 1 d . . . . .
H8 H 0.513127 0.619020 0.748000 0.070 Uiso 1 1 calc R U . . .
C9 C 0.3653(6) 0.5278(4) 0.6896(4) 0.0586(16) Uani 1 1 d . . . . .
H9 H 0.340257 0.569048 0.642578 0.070 Uiso 1 1 calc R U . . .
C10 C 0.3016(5) 0.4380(4) 0.6968(3) 0.0407(10) Uani 1 1 d . . . . .
H10 H 0.233022 0.417445 0.653141 0.049 Uiso 1 1 calc R U . . .
C11 C 0.1975(3) -0.0177(3) 0.8584(3) 0.0238(7) Uani 1 1 d . . . . .
C12 C 0.1163(3) -0.0614(3) 0.8986(3) 0.0313(8) Uani 1 1 d . . . . .
H12 H 0.039871 -0.062843 0.869829 0.038 Uiso 1 1 calc R U . . .
C13 C 0.1462(4) -0.1028(4) 0.9803(3) 0.0382(10) Uani 1 1 d . . . . .
H13 H 0.089912 -0.131477 1.007084 0.046 Uiso 1 1 calc R U . . .
C14 C 0.2567(4) -0.1029(3) 1.0230(3) 0.0361(9) Uani 1 1 d . . . . .
H14 H 0.276513 -0.130706 1.079223 0.043 Uiso 1 1 calc R U . . .
C15 C 0.3378(3) -0.0622(3) 0.9831(3) 0.0299(8) Uani 1 1 d . . . . .
H15 H 0.414028 -0.063063 1.011416 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3090(3) -0.0197(3) 0.9015(3) 0.0261(7) Uani 1 1 d . . . . .
H16 H 0.365890 0.008181 0.874856 0.031 Uiso 1 1 calc R U . . .
C17 C 0.0102(3) 0.0087(3) 0.7205(3) 0.0249(7) Uani 1 1 d . . . . .
C18 C -0.0365(4) -0.0852(3) 0.6616(3) 0.0348(9) Uani 1 1 d . . . . .
H18 H 0.009133 -0.126127 0.631380 0.042 Uiso 1 1 calc R U . . .
C19 C -0.1493(4) -0.1184(4) 0.6475(3) 0.0416(10) Uani 1 1 d . . . . .
H19 H -0.180409 -0.181582 0.606982 0.050 Uiso 1 1 calc R U . . .
C20 C -0.2167(4) -0.0604(4) 0.6916(3) 0.0393(10) Uani 1 1 d . . . . .
H20 H -0.293637 -0.083902 0.682085 0.047 Uiso 1 1 calc R U . . .
C21 C -0.1716(4) 0.0313(4) 0.7494(4) 0.0413(10) Uani 1 1 d . . . . .
H21 H -0.217547 0.071459 0.779881 0.050 Uiso 1 1 calc R U . . .
C22 C -0.0586(3) 0.0660(3) 0.7635(3) 0.0332(9) Uani 1 1 d . . . . .
H22 H -0.028539 0.129896 0.803334 0.040 Uiso 1 1 calc R U . . .
C23 C 0.2080(3) -0.0340(3) 0.6652(3) 0.0269(8) Uani 1 1 d . . . . .
C24 C 0.1623(4) -0.0262(4) 0.5736(3) 0.0362(9) Uani 1 1 d . . . . .
H24 H 0.109906 0.022690 0.559108 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1927(5) -0.0895(4) 0.5032(3) 0.0464(12) Uani 1 1 d . . . . .
H25 H 0.158940 -0.085414 0.440905 0.056 Uiso 1 1 calc R U . . .
C26 C 0.2718(5) -0.1581(4) 0.5233(3) 0.0457(12) Uani 1 1 d . . . . .
H26 H 0.293932 -0.199638 0.474987 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3190(4) -0.1665(4) 0.6147(4) 0.0481(12) Uani 1 1 d . . . . .
H27 H 0.373536 -0.213529 0.628818 0.058 Uiso 1 1 calc R U . . .
C28 C 0.2856(4) -0.1049(3) 0.6856(3) 0.0350(9) Uani 1 1 d . . . . .
H28 H 0.316154 -0.111734 0.747917 0.042 Uiso 1 1 calc R U . . .
C29 C 0.1632(3) 0.4691(3) 0.8569(3) 0.0291(8) Uani 1 1 d . . . . .
C30 C 0.1008(4) 0.5303(4) 0.7992(4) 0.0448(11) Uani 1 1 d . . . . .
H30 H 0.032002 0.500172 0.759391 0.054 Uiso 1 1 calc R U . . .
C31 C 0.1394(6) 0.6358(4) 0.8002(5) 0.0614(16) Uani 1 1 d . . . . .
H31 H 0.095812 0.676970 0.761112 0.074 Uiso 1 1 calc R U . . .
C32 C 0.2383(5) 0.6809(4) 0.8560(4) 0.0552(14) Uani 1 1 d . . . . .
H32 H 0.263922 0.752513 0.854913 0.066 Uiso 1 1 calc R U . . .
C33 C 0.3010(4) 0.6219(4) 0.9140(4) 0.0464(12) Uani 1 1 d . . . . .
H33 H 0.369728 0.653000 0.953335 0.056 Uiso 1 1 calc R U . . .
C34 C 0.2634(4) 0.5167(4) 0.9149(3) 0.0372(9) Uani 1 1 d . . . . .
H34 H 0.306460 0.476846 0.955607 0.045 Uiso 1 1 calc R U . . .
C35 C 0.1418(3) 0.3108(3) 0.9730(3) 0.0276(8) Uani 1 1 d . . . . .
C36 C 0.1503(3) 0.2110(3) 0.9977(3) 0.0301(8) Uani 1 1 d . . . . .
H36 H 0.151005 0.153101 0.951974 0.036 Uiso 1 1 calc R U . . .
C37 C 0.1579(4) 0.1936(4) 1.0884(3) 0.0352(9) Uani 1 1 d . . . . .
H37 H 0.162563 0.124394 1.104116 0.042 Uiso 1 1 calc R U . . .
C38 C 0.1585(5) 0.2780(4) 1.1551(3) 0.0461(12) Uani 1 1 d . . . . .
H38 H 0.165322 0.267119 1.217260 0.055 Uiso 1 1 calc R U . . .
C39 C 0.1494(5) 0.3778(4) 1.1319(3) 0.0505(13) Uani 1 1 d . . . . .
H39 H 0.148757 0.435254 1.178050 0.061 Uiso 1 1 calc R U . . .
C40 C 0.1411(5) 0.3952(4) 1.0409(3) 0.0420(11) Uani 1 1 d . . . . .
H40 H 0.135009 0.464358 1.025383 0.050 Uiso 1 1 calc R U . . .
C41 C -0.0300(3) 0.3222(3) 0.8160(3) 0.0286(8) Uani 1 1 d . . . . .
C42 C -0.0956(4) 0.3246(3) 0.8808(4) 0.0383(10) Uani 1 1 d . . . . .
H42 H -0.062098 0.322612 0.943548 0.046 Uiso 1 1 calc R U . . .
C43 C -0.2101(4) 0.3298(4) 0.8542(4) 0.0457(12) Uani 1 1 d . . . . .
H43 H -0.254082 0.330006 0.898677 0.055 Uiso 1 1 calc R U . . .
C44 C -0.2594(4) 0.3348(4) 0.7639(4) 0.0503(13) Uani 1 1 d . . . . .
H44 H -0.337183 0.338925 0.746200 0.060 Uiso 1 1 calc R U . . .
C45 C -0.1960(4) 0.3336(5) 0.6993(4) 0.0522(14) Uani 1 1 d . . . . .
H45 H -0.230079 0.338283 0.637168 0.063 Uiso 1 1 calc R U . . .
C46 C -0.0824(4) 0.3257(4) 0.7241(3) 0.0412(11) Uani 1 1 d . . . . .
H46 H -0.039994 0.322749 0.678525 0.049 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
Cl2 Au1 As1 176.67(3) . . ?
N2 Ru1 N1 79.79(12) . . ?
N2 Ru1 As1 81.57(10) . . ?
N1 Ru1 As1 80.88(9) . . ?
N2 Ru1 P2 89.12(9) . . ?
N1 Ru1 P2 168.35(9) . . ?
As1 Ru1 P2 94.06(3) . . ?
N2 Ru1 P1 166.90(9) . . ?
N1 Ru1 P1 87.13(9) . . ?
As1 Ru1 P1 97.12(3) . . ?
P2 Ru1 P1 103.97(3) . . ?
N2 Ru1 Cl1 92.39(10) . . ?
N1 Ru1 Cl1 91.13(9) . . ?
As1 Ru1 Cl1 170.70(3) . . ?
P2 Ru1 Cl1 92.90(4) . . ?
P1 Ru1 Cl1 87.15(4) . . ?
O2 As1 O1 92.23(15) . . ?
O2 As1 Ru1 100.48(11) . . ?
O1 As1 Ru1 99.78(9) . . ?
O2 As1 Au1 104.92(12) . . ?
O1 As1 Au1 102.87(9) . . ?
Ru1 As1 Au1 144.98(2) . . ?
C17 P1 C23 100.27(18) . . ?
C17 P1 C11 99.96(17) . . ?
C23 P1 C11 104.06(17) . . ?
C17 P1 Ru1 122.07(12) . . ?
C23 P1 Ru1 110.67(13) . . ?
C11 P1 Ru1 117.20(12) . . ?
C35 P2 C29 102.26(18) . . ?
C35 P2 C41 100.56(19) . . ?
C29 P2 C41 99.63(18) . . ?
C35 P2 Ru1 116.02(12) . . ?
C29 P2 Ru1 109.34(13) . . ?
C41 P2 Ru1 125.69(13) . . ?
C1 O1 As1 116.0(2) . . ?
C6 O2 As1 117.2(3) . . ?
C1 N1 C5 117.5(3) . . ?
C1 N1 Ru1 119.9(3) . . ?
C5 N1 Ru1 122.5(3) . . ?
C6 N2 C10 117.0(4) . . ?
C6 N2 Ru1 120.3(3) . . ?
C10 N2 Ru1 122.4(3) . . ?
O1 C1 N1 120.5(3) . . ?
O1 C1 C2 117.6(4) . . ?
N1 C1 C2 121.9(4) . . ?
C3 C2 C1 119.7(4) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 118.8(4) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.9(4) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
N2 C6 O2 119.7(4) . . ?
N2 C6 C7 122.9(5) . . ?
O2 C6 C7 117.3(5) . . ?
C8 C7 C6 119.3(6) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C7 C8 C9 118.7(5) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 119.2(5) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N2 C10 C9 122.9(5) . . ?
N2 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
C12 C11 C16 117.9(4) . . ?
C12 C11 P1 121.9(3) . . ?
C16 C11 P1 120.1(3) . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 120.9(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.1(4) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 120.6(4) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.8(4) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C22 C17 C18 118.3(4) . . ?
C22 C17 P1 118.2(3) . . ?
C18 C17 P1 123.0(3) . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 120.7(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 119.4(4) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C20 C21 C22 120.4(4) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C17 C22 C21 121.0(4) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C28 C23 C24 119.3(4) . . ?
C28 C23 P1 122.5(3) . . ?
C24 C23 P1 118.2(3) . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 120.3(4) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C23 C28 C27 120.3(4) . . ?
C23 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C34 118.1(4) . . ?
C30 C29 P2 122.0(3) . . ?
C34 C29 P2 119.7(3) . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 121.4(5) . . ?
C32 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C31 C32 C33 119.5(5) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C32 C33 C34 120.0(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C29 121.0(5) . . ?
C33 C34 H34 119.5 . . ?
C29 C34 H34 119.5 . . ?
C36 C35 C40 118.7(4) . . ?
C36 C35 P2 118.7(3) . . ?
C40 C35 P2 122.5(3) . . ?
C35 C36 C37 121.3(4) . . ?
C35 C36 H36 119.3 . . ?
C37 C36 H36 119.3 . . ?
C38 C37 C36 119.3(4) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C39 C38 C37 120.3(4) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 120.5(4) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.9(4) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C46 118.0(4) . . ?
C42 C41 P2 121.5(3) . . ?
C46 C41 P2 120.3(3) . . ?
C43 C42 C41 120.6(5) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 C42 120.3(5) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.9(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C46 120.5(5) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C45 C46 C41 120.6(5) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
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 Cl2 2.2882(11) . ?
Au1 As1 2.3284(4) . ?
Ru1 N2 2.168(3) . ?
Ru1 N1 2.172(3) . ?
Ru1 As1 2.2919(5) . ?
Ru1 P2 2.3852(10) . ?
Ru1 P1 2.3910(10) . ?
Ru1 Cl1 2.4594(10) . ?
As1 O2 1.852(3) . ?
As1 O1 1.869(3) . ?
P1 C17 1.837(4) . ?
P1 C23 1.846(4) . ?
P1 C11 1.861(4) . ?
P2 C35 1.842(4) . ?
P2 C29 1.846(4) . ?
P2 C41 1.857(4) . ?
O1 C1 1.334(5) . ?
O2 C6 1.353(6) . ?
N1 C1 1.347(5) . ?
N1 C5 1.355(5) . ?
N2 C6 1.346(6) . ?
N2 C10 1.356(6) . ?
C1 C2 1.400(6) . ?
C2 C3 1.366(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.389(6) . ?
C7 C8 1.363(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.372(7) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.396(6) . ?
C11 C16 1.398(5) . ?
C12 C13 1.389(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.378(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.381(6) . ?
C17 C18 1.405(6) . ?
C18 C19 1.390(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.371(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.397(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.388(6) . ?
C23 C24 1.391(6) . ?
C24 C25 1.391(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.405(6) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.394(6) . ?
C29 C34 1.397(6) . ?
C30 C31 1.396(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.365(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.395(7) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.383(6) . ?
C35 C40 1.396(6) . ?
C36 C37 1.396(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.375(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.399(7) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.399(6) . ?
C41 C46 1.403(6) . ?
C42 C43 1.397(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.376(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.391(7) . ?
C45 H45 0.9500 . ?
C46 H46 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
O2 As1 O1 C1 -83.7(3) . . . . ?
Ru1 As1 O1 C1 17.3(3) . . . . ?
Au1 As1 O1 C1 170.4(3) . . . . ?
O1 As1 O2 C6 95.1(3) . . . . ?
Ru1 As1 O2 C6 -5.3(3) . . . . ?
Au1 As1 O2 C6 -161.0(3) . . . . ?
As1 O1 C1 N1 -11.1(5) . . . . ?
As1 O1 C1 C2 168.5(3) . . . . ?
C5 N1 C1 O1 174.8(4) . . . . ?
Ru1 N1 C1 O1 -2.6(5) . . . . ?
C5 N1 C1 C2 -4.8(6) . . . . ?
Ru1 N1 C1 C2 177.7(3) . . . . ?
O1 C1 C2 C3 -175.6(4) . . . . ?
N1 C1 C2 C3 4.1(7) . . . . ?
C1 C2 C3 C4 -0.5(7) . . . . ?
C2 C3 C4 C5 -2.0(8) . . . . ?
C1 N1 C5 C4 2.2(6) . . . . ?
Ru1 N1 C5 C4 179.6(4) . . . . ?
C3 C4 C5 N1 1.2(8) . . . . ?
C10 N2 C6 O2 175.1(4) . . . . ?
Ru1 N2 C6 O2 -9.7(6) . . . . ?
C10 N2 C6 C7 -1.5(7) . . . . ?
Ru1 N2 C6 C7 173.7(4) . . . . ?
As1 O2 C6 N2 9.8(6) . . . . ?
As1 O2 C6 C7 -173.4(4) . . . . ?
N2 C6 C7 C8 2.2(8) . . . . ?
O2 C6 C7 C8 -174.5(5) . . . . ?
C6 C7 C8 C9 -1.0(8) . . . . ?
C7 C8 C9 C10 -0.7(9) . . . . ?
C6 N2 C10 C9 -0.3(7) . . . . ?
Ru1 N2 C10 C9 -175.4(4) . . . . ?
C8 C9 C10 N2 1.4(8) . . . . ?
C17 P1 C11 C12 -12.5(4) . . . . ?
C23 P1 C11 C12 -115.8(3) . . . . ?
Ru1 P1 C11 C12 121.7(3) . . . . ?
C17 P1 C11 C16 171.7(3) . . . . ?
C23 P1 C11 C16 68.3(3) . . . . ?
Ru1 P1 C11 C16 -54.2(3) . . . . ?
C16 C11 C12 C13 1.7(6) . . . . ?
P1 C11 C12 C13 -174.3(3) . . . . ?
C11 C12 C13 C14 -0.8(7) . . . . ?
C12 C13 C14 C15 -0.7(7) . . . . ?
C13 C14 C15 C16 1.1(6) . . . . ?
C14 C15 C16 C11 -0.1(6) . . . . ?
C12 C11 C16 C15 -1.3(5) . . . . ?
P1 C11 C16 C15 174.8(3) . . . . ?
C23 P1 C17 C22 -170.3(3) . . . . ?
C11 P1 C17 C22 83.3(3) . . . . ?
Ru1 P1 C17 C22 -47.8(4) . . . . ?
C23 P1 C17 C18 18.2(4) . . . . ?
C11 P1 C17 C18 -88.2(4) . . . . ?
Ru1 P1 C17 C18 140.6(3) . . . . ?
C22 C17 C18 C19 0.2(6) . . . . ?
P1 C17 C18 C19 171.8(4) . . . . ?
C17 C18 C19 C20 -0.7(7) . . . . ?
C18 C19 C20 C21 0.6(7) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C18 C17 C22 C21 0.4(7) . . . . ?
P1 C17 C22 C21 -171.6(4) . . . . ?
C20 C21 C22 C17 -0.5(7) . . . . ?
C17 P1 C23 C28 -122.4(4) . . . . ?
C11 P1 C23 C28 -19.3(4) . . . . ?
Ru1 P1 C23 C28 107.4(3) . . . . ?
C17 P1 C23 C24 56.5(4) . . . . ?
C11 P1 C23 C24 159.6(3) . . . . ?
Ru1 P1 C23 C24 -73.6(3) . . . . ?
C28 C23 C24 C25 0.8(7) . . . . ?
P1 C23 C24 C25 -178.2(4) . . . . ?
C23 C24 C25 C26 -2.4(8) . . . . ?
C24 C25 C26 C27 1.9(8) . . . . ?
C25 C26 C27 C28 0.1(8) . . . . ?
C24 C23 C28 C27 1.2(7) . . . . ?
P1 C23 C28 C27 -179.8(4) . . . . ?
C26 C27 C28 C23 -1.7(8) . . . . ?
C35 P2 C29 C30 -135.2(4) . . . . ?
C41 P2 C29 C30 -32.1(4) . . . . ?
Ru1 P2 C29 C30 101.3(4) . . . . ?
C35 P2 C29 C34 50.4(4) . . . . ?
C41 P2 C29 C34 153.6(3) . . . . ?
Ru1 P2 C29 C34 -73.1(3) . . . . ?
C34 C29 C30 C31 0.5(7) . . . . ?
P2 C29 C30 C31 -173.9(4) . . . . ?
C29 C30 C31 C32 0.7(9) . . . . ?
C30 C31 C32 C33 -1.1(9) . . . . ?
C31 C32 C33 C34 0.4(8) . . . . ?
C32 C33 C34 C29 0.8(7) . . . . ?
C30 C29 C34 C33 -1.3(7) . . . . ?
P2 C29 C34 C33 173.3(4) . . . . ?
C29 P2 C35 C36 -162.0(3) . . . . ?
C41 P2 C35 C36 95.7(3) . . . . ?
Ru1 P2 C35 C36 -43.1(4) . . . . ?
C29 P2 C35 C40 21.7(4) . . . . ?
C41 P2 C35 C40 -80.7(4) . . . . ?
Ru1 P2 C35 C40 140.6(4) . . . . ?
C40 C35 C36 C37 0.1(6) . . . . ?
P2 C35 C36 C37 -176.4(3) . . . . ?
C35 C36 C37 C38 -1.0(7) . . . . ?
C36 C37 C38 C39 1.4(8) . . . . ?
C37 C38 C39 C40 -1.0(9) . . . . ?
C36 C35 C40 C39 0.3(7) . . . . ?
P2 C35 C40 C39 176.6(4) . . . . ?
C38 C39 C40 C35 0.2(9) . . . . ?
C35 P2 C41 C42 8.8(4) . . . . ?
C29 P2 C41 C42 -95.7(4) . . . . ?
Ru1 P2 C41 C42 141.9(3) . . . . ?
C35 P2 C41 C46 -176.6(3) . . . . ?
C29 P2 C41 C46 78.8(4) . . . . ?
Ru1 P2 C41 C46 -43.5(4) . . . . ?
C46 C41 C42 C43 0.3(6) . . . . ?
P2 C41 C42 C43 175.0(3) . . . . ?
C41 C42 C43 C44 -1.2(7) . . . . ?
C42 C43 C44 C45 0.5(8) . . . . ?
C43 C44 C45 C46 1.1(8) . . . . ?
C44 C45 C46 C41 -2.0(8) . . . . ?
C42 C41 C46 C45 1.3(7) . . . . ?
P2 C41 C46 C45 -173.5(4) . . . . ?
