#------------------------------------------------------------------------------
#$Date: 2020-05-05 16:21:00 +0300 (Tue, 05 May 2020) $
#$Revision: 251628 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703537.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_7703537
loop_
_publ_author_name
'Dutta, Debarpan'
'Kundu, Suman'
'Weyhermüller, Thomas'
'Ghosh, Prasanta'
_publ_section_title
;
 Metal promoted conversion of aromatic amines to ortho-phenylenediimine
 derivatives by a radical coupling path.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5015
_journal_page_last               5019
_journal_paper_doi               10.1039/d0dt00089b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C42 H33 Cl2 N2 P Ru S2'
_chemical_formula_sum            'C42 H33 Cl2 N2 P Ru S2'
_chemical_formula_weight         832.76
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-03 deposited with the CCDC.	2020-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                102.105(2)
_cell_angle_beta                 95.801(2)
_cell_angle_gamma                101.584(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9814(5)
_cell_length_b                   13.5654(6)
_cell_length_c                   15.3462(7)
_cell_measurement_reflns_used    9782
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.68
_cell_volume                     1967.95(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0363
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31467
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.361
_diffrn_reflns_theta_min         2.905
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker AXS Inc. 2007)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_description       prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.660
_exptl_crystal_size_mid          0.480
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.733
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       0.0099(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         9801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0380
_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)+3.9629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8642
_reflns_number_total             9801
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00089b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7703537--7703539.cif.'
_cod_database_code               7703537
_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   0.651
_shelx_estimated_absorpt_t_max   0.815
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
Ru1 Ru 0.71769(2) 0.29098(2) 0.67525(2) 0.02144(7) Uani 1 1 d . . . . .
Cl1 Cl 0.94167(7) 0.40872(6) 0.70600(5) 0.03501(16) Uani 1 1 d . . . . .
Cl2 Cl 0.79415(8) 0.19741(6) 0.54401(5) 0.03855(17) Uani 1 1 d . . . . .
S1 S 0.59628(7) 0.38344(5) 0.59270(4) 0.02634(14) Uani 1 1 d . . . . .
N1 N 0.7656(2) 0.18806(17) 0.74030(16) 0.0271(5) Uani 1 1 d . . . . .
H1 H 0.834749 0.202770 0.782706 0.033 Uiso 1 1 calc R U . . .
C1 C 0.6827(3) 0.0954(2) 0.71320(18) 0.0273(5) Uani 1 1 d . . . . .
S2 S 0.83577(10) 0.02149(7) 0.83410(6) 0.0443(2) Uani 1 1 d . . . . .
N2 N 0.5454(2) 0.18205(17) 0.63883(15) 0.0241(4) Uani 1 1 d . . . . .
C2 C 0.7010(3) 0.0054(2) 0.7440(2) 0.0359(6) Uani 1 1 d . . . . .
C3 C 0.6116(4) -0.0870(2) 0.7048(3) 0.0479(8) Uani 1 1 d . . . . .
H3 H 0.622591 -0.145807 0.724300 0.057 Uiso 1 1 calc R U . . .
C4 C 0.5020(4) -0.0957(2) 0.6348(2) 0.0453(8) Uani 1 1 d . . . . .
H4 H 0.447706 -0.160846 0.606071 0.054 Uiso 1 1 calc R U . . .
C5 C 0.4747(3) -0.0110(2) 0.6090(2) 0.0343(6) Uani 1 1 d . . . . .
H5 H 0.400684 -0.017946 0.564448 0.041 Uiso 1 1 calc R U . . .
C6 C 0.5603(3) 0.0884(2) 0.65057(18) 0.0270(5) Uani 1 1 d . . . . .
C7 C 0.4214(3) 0.2021(2) 0.60052(18) 0.0261(5) Uani 1 1 d . . . . .
C8 C 0.2896(3) 0.1418(2) 0.5991(2) 0.0371(7) Uani 1 1 d . . . . .
H8 H 0.279898 0.080674 0.618565 0.045 Uiso 1 1 calc R U . . .
C9 C 0.1735(3) 0.1732(3) 0.5686(3) 0.0477(8) Uani 1 1 d . . . . .
H9 H 0.086427 0.131728 0.566742 0.057 Uiso 1 1 calc R U . . .
C10 C 0.1839(3) 0.2642(3) 0.5410(3) 0.0493(9) Uani 1 1 d . . . . .
H10 H 0.104672 0.283743 0.520327 0.059 Uiso 1 1 calc R U . . .
C11 C 0.3139(3) 0.3266(3) 0.5443(2) 0.0396(7) Uani 1 1 d . . . . .
H11 H 0.321760 0.389183 0.527323 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4321(3) 0.2957(2) 0.57291(19) 0.0288(5) Uani 1 1 d . . . . .
C13 C 0.6453(3) 0.3870(2) 0.48372(19) 0.0299(6) Uani 1 1 d . . . . .
C14 C 0.5512(3) 0.3703(2) 0.4063(2) 0.0367(6) Uani 1 1 d . . . . .
H14 H 0.456728 0.349943 0.407028 0.044 Uiso 1 1 calc R U . . .
C15 C 0.6013(4) 0.3848(3) 0.3272(2) 0.0496(9) Uani 1 1 d . . . . .
H15 H 0.539503 0.372154 0.274386 0.060 Uiso 1 1 calc R U . . .
C16 C 0.7399(4) 0.4172(3) 0.3261(2) 0.0543(9) Uani 1 1 d . . . . .
H16 H 0.771883 0.428444 0.273317 0.065 Uiso 1 1 calc R U . . .
C17 C 0.8316(4) 0.4331(3) 0.4035(3) 0.0568(10) Uani 1 1 d . . . . .
H17 H 0.925904 0.454314 0.402498 0.068 Uiso 1 1 calc R U . . .
C18 C 0.7861(3) 0.4181(3) 0.4823(2) 0.0472(8) Uani 1 1 d . . . . .
H18 H 0.849085 0.428737 0.534254 0.057 Uiso 1 1 calc R U . . .
C19 C 0.9575(4) -0.0413(3) 0.7825(3) 0.0443(8) Uani 1 1 d . . . . .
C20 C 0.9714(5) -0.0517(4) 0.6923(3) 0.0683(12) Uani 1 1 d . . . . .
H20 H 0.915289 -0.024939 0.655630 0.082 Uiso 1 1 calc R U . . .
C21 C 1.0669(6) -0.1010(5) 0.6572(4) 0.0949(19) Uani 1 1 d . . . . .
H21 H 1.074919 -0.107182 0.596497 0.114 Uiso 1 1 calc R U . . .
C22 C 1.1510(6) -0.1413(5) 0.7082(6) 0.108(2) Uani 1 1 d . . . . .
H22 H 1.214437 -0.175787 0.682751 0.130 Uiso 1 1 calc R U . . .
C23 C 1.1402(5) -0.1300(5) 0.7990(6) 0.102(2) Uani 1 1 d . . . . .
H23 H 1.197981 -0.156301 0.834919 0.122 Uiso 1 1 calc R U . . .
C24 C 1.0424(4) -0.0791(4) 0.8374(4) 0.0705(13) Uani 1 1 d . . . . .
H24 H 1.035359 -0.071233 0.898297 0.085 Uiso 1 1 calc R U . . .
P1 P 0.66276(7) 0.38227(5) 0.80735(4) 0.02245(13) Uani 1 1 d . . . . .
C25 C 0.6826(3) 0.5228(2) 0.82736(19) 0.0299(6) Uani 1 1 d . . . . .
C26 C 0.7487(3) 0.5792(2) 0.7726(2) 0.0348(6) Uani 1 1 d . . . . .
H26 H 0.779482 0.545122 0.721995 0.042 Uiso 1 1 calc R U . . .
C27 C 0.7698(4) 0.6865(3) 0.7923(3) 0.0461(8) Uani 1 1 d . . . . .
H27 H 0.815092 0.723638 0.755126 0.055 Uiso 1 1 calc R U . . .
C28 C 0.7245(4) 0.7376(3) 0.8660(3) 0.0541(9) Uani 1 1 d . . . . .
H28 H 0.738790 0.809404 0.878840 0.065 Uiso 1 1 calc R U . . .
C29 C 0.6572(4) 0.6827(3) 0.9216(3) 0.0572(10) Uani 1 1 d . . . . .
H29 H 0.625855 0.717382 0.971584 0.069 Uiso 1 1 calc R U . . .
C30 C 0.6367(4) 0.5757(3) 0.9024(2) 0.0454(8) Uani 1 1 d . . . . .
H30 H 0.591840 0.538862 0.939926 0.054 Uiso 1 1 calc R U . . .
C31 C 0.4831(3) 0.3309(2) 0.81739(18) 0.0287(5) Uani 1 1 d . . . . .
C32 C 0.3790(3) 0.3806(3) 0.7997(3) 0.0462(8) Uani 1 1 d . . . . .
H32 H 0.400658 0.446142 0.788076 0.055 Uiso 1 1 calc R U . . .
C33 C 0.2417(4) 0.3326(4) 0.7992(3) 0.0657(12) Uani 1 1 d . . . . .
H33 H 0.172122 0.366379 0.787147 0.079 Uiso 1 1 calc R U . . .
C34 C 0.2076(4) 0.2357(4) 0.8163(3) 0.0648(12) Uani 1 1 d . . . . .
H34 H 0.115882 0.204966 0.817276 0.078 Uiso 1 1 calc R U . . .
C35 C 0.3095(4) 0.1853(3) 0.8318(3) 0.0531(9) Uani 1 1 d . . . . .
H35 H 0.286554 0.119235 0.842073 0.064 Uiso 1 1 calc R U . . .
C36 C 0.4469(3) 0.2314(2) 0.8324(2) 0.0374(7) Uani 1 1 d . . . . .
H36 H 0.515358 0.196003 0.842805 0.045 Uiso 1 1 calc R U . . .
C37 C 0.7581(3) 0.3700(2) 0.91206(18) 0.0302(6) Uani 1 1 d . . . . .
C38 C 0.8970(3) 0.3676(3) 0.9176(2) 0.0397(7) Uani 1 1 d . . . . .
H38 H 0.941983 0.370056 0.867596 0.048 Uiso 1 1 calc R U . . .
C39 C 0.9694(4) 0.3616(3) 0.9990(3) 0.0553(10) Uani 1 1 d . . . . .
H39 H 1.062332 0.359593 1.002573 0.066 Uiso 1 1 calc R U . . .
C40 C 0.9047(5) 0.3586(4) 1.0728(3) 0.0705(13) Uani 1 1 d . . . . .
H40 H 0.953553 0.354995 1.126504 0.085 Uiso 1 1 calc R U . . .
C41 C 0.7680(5) 0.3610(4) 1.0678(3) 0.0761(14) Uani 1 1 d . . . . .
H41 H 0.724069 0.358523 1.118185 0.091 Uiso 1 1 calc R U . . .
C42 C 0.6938(4) 0.3670(3) 0.9879(2) 0.0534(9) Uani 1 1 d . . . . .
H42 H 0.600940 0.369138 0.985360 0.064 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'
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N2 Ru1 N1 79.85(9) . . ?
N2 Ru1 P1 98.29(7) . . ?
N1 Ru1 P1 89.36(7) . . ?
N2 Ru1 S1 84.13(6) . . ?
N1 Ru1 S1 163.56(7) . . ?
P1 Ru1 S1 89.35(2) . . ?
N2 Ru1 Cl1 172.31(7) . . ?
N1 Ru1 Cl1 97.96(7) . . ?
P1 Ru1 Cl1 89.02(3) . . ?
S1 Ru1 Cl1 98.40(3) . . ?
N2 Ru1 Cl2 85.24(7) . . ?
N1 Ru1 Cl2 88.11(7) . . ?
P1 Ru1 Cl2 175.23(3) . . ?
S1 Ru1 Cl2 94.22(3) . . ?
Cl1 Ru1 Cl2 87.33(3) . . ?
C12 S1 C13 106.28(13) . . ?
C12 S1 Ru1 97.08(9) . . ?
C13 S1 Ru1 114.80(9) . . ?
C1 N1 Ru1 114.43(18) . . ?
C1 N1 H1 122.8 . . ?
Ru1 N1 H1 122.8 . . ?
N1 C1 C2 125.5(3) . . ?
N1 C1 C6 115.2(2) . . ?
C2 C1 C6 119.3(3) . . ?
C2 S2 C19 103.84(16) . . ?
C6 N2 C7 124.8(2) . . ?
C6 N2 Ru1 113.65(17) . . ?
C7 N2 Ru1 121.49(17) . . ?
C3 C2 C1 118.6(3) . . ?
C3 C2 S2 123.3(2) . . ?
C1 C2 S2 118.0(2) . . ?
C2 C3 C4 121.5(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 121.5(3) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 119.5(3) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
N2 C6 C5 128.5(3) . . ?
N2 C6 C1 112.7(2) . . ?
C5 C6 C1 118.8(2) . . ?
C8 C7 C12 118.5(2) . . ?
C8 C7 N2 124.0(3) . . ?
C12 C7 N2 117.0(2) . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 121.6(3) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 119.3(3) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 120.4(3) . . ?
C11 C12 S1 120.0(2) . . ?
C7 C12 S1 118.8(2) . . ?
C14 C13 C18 120.5(3) . . ?
C14 C13 S1 123.7(2) . . ?
C18 C13 S1 115.6(2) . . ?
C13 C14 C15 118.6(3) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C16 C15 C14 121.0(3) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 119.5(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C18 C17 C16 121.0(3) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C17 C18 C13 119.3(3) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C24 C19 C20 120.0(4) . . ?
C24 C19 S2 116.7(3) . . ?
C20 C19 S2 123.3(3) . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 121.9(6) . . ?
C22 C21 H21 119.0 . . ?
C20 C21 H21 119.0 . . ?
C21 C22 C23 118.7(6) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 H22 120.7 . . ?
C22 C23 C24 120.7(6) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C19 C24 C23 118.5(5) . . ?
C19 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C31 P1 C25 105.39(13) . . ?
C31 P1 C37 102.97(13) . . ?
C25 P1 C37 101.78(13) . . ?
C31 P1 Ru1 109.80(9) . . ?
C25 P1 Ru1 119.92(10) . . ?
C37 P1 Ru1 115.25(10) . . ?
C26 C25 C30 118.6(3) . . ?
C26 C25 P1 121.7(2) . . ?
C30 C25 P1 119.6(2) . . ?
C25 C26 C27 120.6(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 120.0(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 119.8(3) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C25 120.6(3) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C32 C31 C36 118.6(3) . . ?
C32 C31 P1 122.5(2) . . ?
C36 C31 P1 118.4(2) . . ?
C31 C32 C33 119.9(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.9(4) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C35 C34 C33 119.4(3) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.7(4) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C31 120.3(3) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C38 C37 C42 119.0(3) . . ?
C38 C37 P1 120.5(2) . . ?
C42 C37 P1 120.5(2) . . ?
C37 C38 C39 119.7(3) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C40 C39 C38 120.6(4) . . ?
C40 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
C39 C40 C41 119.9(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.6(4) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C37 C42 C41 120.2(4) . . ?
C37 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
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
Ru1 N2 1.973(2) . ?
Ru1 N1 1.982(2) . ?
Ru1 P1 2.3212(7) . ?
Ru1 S1 2.3692(7) . ?
Ru1 Cl1 2.4100(7) . ?
Ru1 Cl2 2.4244(7) . ?
S1 C12 1.777(3) . ?
S1 C13 1.797(3) . ?
N1 C1 1.315(3) . ?
N1 H1 0.8600 . ?
C1 C2 1.436(4) . ?
C1 C6 1.450(4) . ?
S2 C2 1.774(3) . ?
S2 C19 1.776(4) . ?
N2 C6 1.355(3) . ?
N2 C7 1.416(3) . ?
C2 C3 1.363(5) . ?
C3 C4 1.423(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.422(4) . ?
C5 H5 0.9300 . ?
C7 C8 1.398(4) . ?
C7 C12 1.409(4) . ?
C8 C9 1.383(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.389(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(4) . ?
C11 H11 0.9300 . ?
C13 C14 1.387(4) . ?
C13 C18 1.388(4) . ?
C14 C15 1.394(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.368(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.374(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.378(5) . ?
C19 C20 1.386(6) . ?
C20 C21 1.363(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.359(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.413(7) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
P1 C31 1.823(3) . ?
P1 C25 1.832(3) . ?
P1 C37 1.840(3) . ?
C25 C26 1.381(4) . ?
C25 C30 1.393(4) . ?
C26 C27 1.390(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.383(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.388(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.382(4) . ?
C31 C36 1.398(4) . ?
C32 C33 1.393(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.376(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.387(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.387(4) . ?
C37 C42 1.389(4) . ?
C38 C39 1.405(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.363(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.366(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.394(5) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
