#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:34:56 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267164 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/73/7707321.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_7707321
loop_
_publ_author_name
'Dutta, Debarpan'
'Maity, Suvendu'
'Kundu, Suman'
'Ghosh, Prasanta'
_publ_section_title
;
 Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent
 N-aryl-o-phenylenediamine derivatives.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7791
_journal_page_last               7803
_journal_paper_doi               10.1039/d1dt00779c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C48 H39 Cl5 N4 O2 P2 Ru'
_chemical_formula_weight         1044.09
_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   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2020-12-17 deposited with the CCDC.	2021-05-05 downloaded from the CCDC.
;
_cell_angle_alpha                79.7780(10)
_cell_angle_beta                 73.1470(10)
_cell_angle_gamma                69.4680(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5528(3)
_cell_length_b                   13.5142(4)
_cell_length_c                   18.0956(6)
_cell_measurement_reflns_used    9152
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      3.05
_cell_volume                     2304.65(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      294(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  0.0316
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36826
_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         28.313
_diffrn_reflns_theta_min         2.360
_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'APEX2 (Bruker AXS Inc. 2007)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.043
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.0100(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         11398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0444
_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)+(0.0446P)²+3.8279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9717
_reflns_number_total             11398
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00779c2.cif
_cod_data_source_block           196RKMRu_0m_a_a
_cod_depositor_comments
'Adding full bibliography for 7707320--7707323.cif.'
_cod_database_code               7707321
_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.
;
_shelxl_version_number           2014/6
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
C1 C 0.3936(3) 0.2732(2) 0.16581(18) 0.0362(6) Uani 1 1 d . . . . .
Cl1 Cl 0.63627(8) 0.48451(5) 0.09438(4) 0.03781(16) Uani 1 1 d . . . . .
N1 N 0.4611(3) 0.34318(19) 0.14217(14) 0.0330(5) Uani 1 1 d . . . . .
O1 O 0.6791(4) 0.0409(3) 0.57572(17) 0.0715(8) Uani 1 1 d . . . . .
P1 P 0.77641(7) 0.21307(5) 0.10387(4) 0.02602(14) Uani 1 1 d . . . . .
Ru1 Ru 0.60142(2) 0.34108(2) 0.19108(2) 0.02618(8) Uani 1 1 d . . . . .
C2 C 0.2960(4) 0.2623(3) 0.1305(2) 0.0581(10) Uani 1 1 d . . . . .
H2 H 0.2779 0.3044 0.0858 0.070 Uiso 1 1 calc R U . . .
Cl2 Cl 0.79464(8) 0.32742(6) 0.24512(4) 0.04015(17) Uani 1 1 d . . . . .
N2 N 0.5164(2) 0.22976(18) 0.26168(13) 0.0306(5) Uani 1 1 d . . . . .
O2 O 0.4556(3) 0.0787(3) 0.61018(15) 0.0663(8) Uani 1 1 d . . . . .
P2 P 0.43827(7) 0.47263(5) 0.27818(4) 0.02784(14) Uani 1 1 d . . . . .
C3 C 0.2303(6) 0.1906(4) 0.1625(3) 0.0830(16) Uani 1 1 d . . . . .
H3 H 0.1651 0.1837 0.1402 0.100 Uiso 1 1 calc R U . . .
Cl3 Cl 0.0555(2) 0.3025(2) 0.50905(19) 0.1616(10) Uani 1 1 d . . . . .
N3 N 0.4151(3) 0.1946(2) 0.39332(15) 0.0382(5) Uani 1 1 d . . . . .
C4 C 0.2594(5) 0.1247(4) 0.2303(3) 0.0761(14) Uani 1 1 d . . . . .
H4 H 0.2131 0.0750 0.2509 0.091 Uiso 1 1 calc R U . . .
Cl4 Cl -0.0598(3) 0.2348(2) 0.40937(17) 0.1631(10) Uani 1 1 d . . . . .
N4 N 0.5638(4) 0.0762(2) 0.56170(16) 0.0490(7) Uani 1 1 d . . . . .
C5 C 0.3525(4) 0.1321(3) 0.2661(2) 0.0528(9) Uani 1 1 d . . . . .
H5 H 0.3702 0.0876 0.3100 0.063 Uiso 1 1 calc R U . . .
Cl5 Cl -0.0256(4) 0.1161(2) 0.55368(19) 0.1897(12) Uani 1 1 d . . . . .
C6 C 0.4221(3) 0.2089(2) 0.23520(18) 0.0352(6) Uani 1 1 d . . . . .
C7 C 0.5324(3) 0.1877(2) 0.33731(16) 0.0309(5) Uani 1 1 d . . . . .
C8 C 0.6657(3) 0.1458(2) 0.35060(17) 0.0343(6) Uani 1 1 d . . . . .
H8 H 0.7445 0.1436 0.3102 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6782(3) 0.1074(2) 0.42506(18) 0.0389(6) Uani 1 1 d . . . . .
H9 H 0.7651 0.0780 0.4363 0.047 Uiso 1 1 calc R U . . .
C10 C 0.5569(4) 0.1147(2) 0.48175(17) 0.0381(6) Uani 1 1 d . . . . .
C11 C 0.4285(4) 0.1588(3) 0.46521(18) 0.0413(7) Uani 1 1 d . . . . .
H11 H 0.3485 0.1638 0.5053 0.050 Uiso 1 1 calc R U . . .
C12 C 0.7046(3) 0.1792(2) 0.03412(16) 0.0297(5) Uani 1 1 d . . . . .
C13 C 0.6389(3) 0.2607(2) -0.01443(17) 0.0371(6) Uani 1 1 d . . . . .
H13 H 0.6382 0.3294 -0.0133 0.045 Uiso 1 1 calc R U . . .
C14 C 0.5745(4) 0.2409(3) -0.06436(18) 0.0433(7) Uani 1 1 d . . . . .
H14 H 0.5309 0.2961 -0.0964 0.052 Uiso 1 1 calc R U . . .
C15 C 0.5753(4) 0.1390(3) -0.0665(2) 0.0489(8) Uani 1 1 d . . . . .
H15 H 0.5301 0.1258 -0.0991 0.059 Uiso 1 1 calc R U . . .
C16 C 0.6431(4) 0.0568(3) -0.0204(2) 0.0495(8) Uani 1 1 d . . . . .
H16 H 0.6458 -0.0121 -0.0228 0.059 Uiso 1 1 calc R U . . .
C17 C 0.7073(3) 0.0768(2) 0.02954(19) 0.0394(6) Uani 1 1 d . . . . .
H17 H 0.7528 0.0210 0.0605 0.047 Uiso 1 1 calc R U . . .
C18 C 0.9266(3) 0.2492(2) 0.04105(15) 0.0299(5) Uani 1 1 d . . . . .
C19 C 1.0111(3) 0.1906(2) -0.02181(18) 0.0378(6) Uani 1 1 d . . . . .
H19 H 0.9888 0.1349 -0.0326 0.045 Uiso 1 1 calc R U . . .
C20 C 1.1279(3) 0.2149(3) -0.06816(19) 0.0444(7) Uani 1 1 d . . . . .
H20 H 1.1844 0.1746 -0.1093 0.053 Uiso 1 1 calc R U . . .
C21 C 1.1612(3) 0.2990(3) -0.05359(18) 0.0413(7) Uani 1 1 d . . . . .
H21 H 1.2398 0.3151 -0.0848 0.050 Uiso 1 1 calc R U . . .
C22 C 1.0777(3) 0.3582(2) 0.00689(18) 0.0378(6) Uani 1 1 d . . . . .
H22 H 1.0988 0.4155 0.0161 0.045 Uiso 1 1 calc R U . . .
C23 C 0.9616(3) 0.3335(2) 0.05471(17) 0.0337(6) Uani 1 1 d . . . . .
H23 H 0.9068 0.3736 0.0962 0.040 Uiso 1 1 calc R U . . .
C24 C 0.8552(3) 0.0838(2) 0.15255(16) 0.0320(5) Uani 1 1 d . . . . .
C25 C 0.7706(3) 0.0242(2) 0.19683(18) 0.0396(6) Uani 1 1 d . . . . .
H25 H 0.6752 0.0491 0.2000 0.048 Uiso 1 1 calc R U . . .
C26 C 0.8275(4) -0.0721(3) 0.2363(2) 0.0495(8) Uani 1 1 d . . . . .
H26 H 0.7699 -0.1104 0.2665 0.059 Uiso 1 1 calc R U . . .
C27 C 0.9685(5) -0.1107(3) 0.2309(2) 0.0601(10) Uani 1 1 d . . . . .
H27 H 1.0062 -0.1750 0.2576 0.072 Uiso 1 1 calc R U . . .
C28 C 1.0540(4) -0.0545(3) 0.1860(3) 0.0654(11) Uani 1 1 d . . . . .
H28 H 1.1497 -0.0813 0.1817 0.079 Uiso 1 1 calc R U . . .
C29 C 0.9976(4) 0.0426(3) 0.1470(2) 0.0474(8) Uani 1 1 d . . . . .
H29 H 1.0562 0.0802 0.1168 0.057 Uiso 1 1 calc R U . . .
C30 C 0.4116(3) 0.4424(2) 0.38377(16) 0.0380(6) Uani 1 1 d . . . . .
C31 C 0.5279(4) 0.3898(3) 0.41384(19) 0.0447(7) Uani 1 1 d . . . . .
H31 H 0.6163 0.3676 0.3806 0.054 Uiso 1 1 calc R U . . .
C32 C 0.5112(5) 0.3708(3) 0.4937(2) 0.0606(11) Uani 1 1 d . . . . .
H32 H 0.5890 0.3358 0.5135 0.073 Uiso 1 1 calc R U . . .
C33 C 0.3835(6) 0.4025(4) 0.5427(2) 0.0715(13) Uani 1 1 d . . . . .
H33 H 0.3735 0.3878 0.5959 0.086 Uiso 1 1 calc R U . . .
C34 C 0.2681(6) 0.4565(4) 0.5140(2) 0.0746(13) Uani 1 1 d . . . . .
H34 H 0.1806 0.4794 0.5481 0.089 Uiso 1 1 calc R U . . .
C35 C 0.2812(4) 0.4771(3) 0.4343(2) 0.0574(9) Uani 1 1 d . . . . .
H35 H 0.2030 0.5140 0.4153 0.069 Uiso 1 1 calc R U . . .
C36 C 0.4633(3) 0.6016(2) 0.26927(16) 0.0359(6) Uani 1 1 d . . . . .
C37 C 0.5976(4) 0.6093(3) 0.24635(18) 0.0412(7) Uani 1 1 d . . . . .
H37 H 0.6740 0.5498 0.2315 0.049 Uiso 1 1 calc R U . . .
C38 C 0.6173(4) 0.7059(3) 0.2456(2) 0.0522(9) Uani 1 1 d . . . . .
H38 H 0.7072 0.7107 0.2308 0.063 Uiso 1 1 calc R U . . .
C39 C 0.5053(5) 0.7942(3) 0.2664(2) 0.0600(10) Uani 1 1 d . . . . .
H39 H 0.5193 0.8588 0.2649 0.072 Uiso 1 1 calc R U . . .
C40 C 0.3724(5) 0.7877(3) 0.2896(3) 0.0655(11) Uani 1 1 d . . . . .
H40 H 0.2967 0.8478 0.3041 0.079 Uiso 1 1 calc R U . . .
C41 C 0.3506(4) 0.6917(3) 0.2917(2) 0.0529(9) Uani 1 1 d . . . . .
H41 H 0.2604 0.6875 0.3080 0.064 Uiso 1 1 calc R U . . .
C42 C 0.2691(3) 0.4998(2) 0.25805(18) 0.0359(6) Uani 1 1 d . . . . .
C43 C 0.1862(3) 0.4354(3) 0.2933(2) 0.0470(7) Uani 1 1 d . . . . .
H43 H 0.2087 0.3856 0.3340 0.056 Uiso 1 1 calc R U . . .
C44 C 0.0696(4) 0.4457(4) 0.2676(3) 0.0642(11) Uani 1 1 d . . . . .
H44 H 0.0136 0.4034 0.2917 0.077 Uiso 1 1 calc R U . . .
C45 C 0.0368(4) 0.5181(4) 0.2066(3) 0.0729(13) Uani 1 1 d . . . . .
H45 H -0.0413 0.5247 0.1899 0.088 Uiso 1 1 calc R U . . .
C46 C 0.1194(4) 0.5809(4) 0.1704(3) 0.0684(12) Uani 1 1 d . . . . .
H46 H 0.0978 0.6291 0.1288 0.082 Uiso 1 1 calc R U . . .
C47 C 0.2344(4) 0.5719(3) 0.1961(2) 0.0493(8) Uani 1 1 d . . . . .
H47 H 0.2895 0.6148 0.1717 0.059 Uiso 1 1 calc R U . . .
C48 C 0.0422(7) 0.1968(6) 0.4717(5) 0.124(3) Uani 1 1 d . . . . .
H48 H 0.1359 0.1546 0.4452 0.149 Uiso 1 1 calc R U . . .
H1A H 0.447(5) 0.387(4) 0.097(3) 0.072(13) Uiso 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'
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'
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'
Ru Ru -1.2594 0.8363 '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
N1 C1 C2 125.2(3) . . ?
N1 C1 C6 113.7(2) . . ?
C2 C1 C6 121.0(3) . . ?
C1 N1 Ru1 120.4(2) . . ?
C1 N1 H1A 117(3) . . ?
Ru1 N1 H1A 122(3) . . ?
C18 P1 C24 103.89(13) . . ?
C18 P1 C12 102.40(12) . . ?
C24 P1 C12 103.50(12) . . ?
C18 P1 Ru1 118.25(9) . . ?
C24 P1 Ru1 114.29(9) . . ?
C12 P1 Ru1 112.79(9) . . ?
N1 Ru1 N2 77.65(10) . . ?
N1 Ru1 Cl1 85.09(8) . . ?
N2 Ru1 Cl1 162.22(7) . . ?
N1 Ru1 P2 92.97(7) . . ?
N2 Ru1 P2 88.09(7) . . ?
Cl1 Ru1 P2 88.59(2) . . ?
N1 Ru1 P1 90.04(7) . . ?
N2 Ru1 P1 94.28(7) . . ?
Cl1 Ru1 P1 89.91(2) . . ?
P2 Ru1 P1 176.52(2) . . ?
N1 Ru1 Cl2 174.96(7) . . ?
N2 Ru1 Cl2 102.80(6) . . ?
Cl1 Ru1 Cl2 94.77(3) . . ?
P2 Ru1 Cl2 92.07(3) . . ?
P1 Ru1 Cl2 84.92(3) . . ?
C3 C2 C1 119.1(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C6 N2 C7 118.7(2) . . ?
C6 N2 Ru1 114.01(19) . . ?
C7 N2 Ru1 126.56(17) . . ?
C42 P2 C36 105.64(14) . . ?
C42 P2 C30 106.13(14) . . ?
C36 P2 C30 99.28(13) . . ?
C42 P2 Ru1 105.37(10) . . ?
C36 P2 Ru1 118.90(10) . . ?
C30 P2 Ru1 120.22(10) . . ?
C2 C3 C4 120.7(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C11 N3 C7 117.4(3) . . ?
C5 C4 C3 122.4(4) . . ?
C5 C4 H4 118.8 . . ?
C3 C4 H4 118.8 . . ?
O2 N4 O1 123.6(3) . . ?
O2 N4 C10 118.4(3) . . ?
O1 N4 C10 118.0(3) . . ?
C4 C5 C6 118.8(3) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
N2 C6 C5 128.4(3) . . ?
N2 C6 C1 113.6(3) . . ?
C5 C6 C1 118.0(3) . . ?
N3 C7 C8 123.4(3) . . ?
N3 C7 N2 116.8(2) . . ?
C8 C7 N2 119.8(3) . . ?
C9 C8 C7 118.6(3) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C10 C9 C8 117.2(3) . . ?
C10 C9 H9 121.4 . . ?
C8 C9 H9 121.4 . . ?
C11 C10 C9 121.4(3) . . ?
C11 C10 N4 119.0(3) . . ?
C9 C10 N4 119.6(3) . . ?
N3 C11 C10 121.9(3) . . ?
N3 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C17 C12 C13 118.2(3) . . ?
C17 C12 P1 123.3(2) . . ?
C13 C12 P1 118.5(2) . . ?
C14 C13 C12 121.0(3) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 119.9(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C12 121.0(3) . . ?
C16 C17 H17 119.5 . . ?
C12 C17 H17 119.5 . . ?
C23 C18 C19 118.3(3) . . ?
C23 C18 P1 121.8(2) . . ?
C19 C18 P1 119.9(2) . . ?
C20 C19 C18 120.5(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 120.4(3) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 119.6(3) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 120.6(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C18 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
C18 C23 H23 119.7 . . ?
C29 C24 C25 118.2(3) . . ?
C29 C24 P1 122.0(2) . . ?
C25 C24 P1 119.8(2) . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C27 C26 C25 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 120.0(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.2(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 120.8(3) . . ?
C24 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C35 C30 C31 119.1(3) . . ?
C35 C30 P2 122.0(3) . . ?
C31 C30 P2 118.7(2) . . ?
C32 C31 C30 119.8(4) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C33 C32 C31 120.8(4) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 120.0(4) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C35 120.6(4) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C30 C35 C34 119.6(4) . . ?
C30 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C37 C36 C41 119.0(3) . . ?
C37 C36 P2 119.9(2) . . ?
C41 C36 P2 120.8(3) . . ?
C38 C37 C36 119.9(3) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 C37 120.5(4) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C40 120.2(3) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C39 C40 C41 120.2(4) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C40 C41 C36 120.2(4) . . ?
C40 C41 H41 119.9 . . ?
C36 C41 H41 119.9 . . ?
C47 C42 C43 118.6(3) . . ?
C47 C42 P2 119.4(2) . . ?
C43 C42 P2 120.8(2) . . ?
C44 C43 C42 119.9(3) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.3(4) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C47 119.7(4) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C46 C47 C42 121.1(3) . . ?
C46 C47 H47 119.4 . . ?
C42 C47 H47 119.4 . . ?
Cl4 C48 Cl3 113.7(5) . . ?
Cl4 C48 Cl5 110.5(4) . . ?
Cl3 C48 Cl5 106.6(5) . . ?
Cl4 C48 H48 108.7 . . ?
Cl3 C48 H48 108.7 . . ?
Cl5 C48 H48 108.7 . . ?
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
C1 N1 1.318(4) . ?
C1 C2 1.418(4) . ?
C1 C6 1.439(4) . ?
Cl1 Ru1 2.4243(7) . ?
N1 Ru1 1.923(2) . ?
N1 H1A 0.93(5) . ?
O1 N4 1.225(4) . ?
P1 C18 1.829(3) . ?
P1 C24 1.838(3) . ?
P1 C12 1.838(3) . ?
P1 Ru1 2.4356(7) . ?
Ru1 N2 2.074(2) . ?
Ru1 P2 2.4254(7) . ?
Ru1 Cl2 2.4446(7) . ?
C2 C3 1.340(6) . ?
C2 H2 0.9300 . ?
N2 C6 1.348(3) . ?
N2 C7 1.419(3) . ?
O2 N4 1.216(4) . ?
P2 C42 1.823(3) . ?
P2 C36 1.826(3) . ?
P2 C30 1.841(3) . ?
C3 C4 1.426(7) . ?
C3 H3 0.9300 . ?
Cl3 C48 1.748(8) . ?
N3 C11 1.335(4) . ?
N3 C7 1.339(4) . ?
C4 C5 1.362(5) . ?
C4 H4 0.9300 . ?
Cl4 C48 1.675(8) . ?
N4 C10 1.462(4) . ?
C5 C6 1.422(4) . ?
C5 H5 0.9300 . ?
Cl5 C48 1.805(9) . ?
C7 C8 1.396(4) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.374(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.373(5) . ?
C11 H11 0.9300 . ?
C12 C17 1.390(4) . ?
C12 C13 1.393(4) . ?
C13 C14 1.385(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.380(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.394(4) . ?
C18 C19 1.398(4) . ?
C19 C20 1.385(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.368(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(4) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C29 1.387(4) . ?
C24 C25 1.396(4) . ?
C25 C26 1.391(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.373(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.374(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.393(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C35 1.386(5) . ?
C30 C31 1.395(5) . ?
C31 C32 1.391(5) . ?
C31 H31 0.9300 . ?
C32 C33 1.351(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.376(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.394(6) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C37 1.391(4) . ?
C36 C41 1.393(4) . ?
C37 C38 1.390(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.369(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.372(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.388(5) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C47 1.393(4) . ?
C42 C43 1.395(4) . ?
C43 C44 1.392(5) . ?
C43 H43 0.9300 . ?
C44 C45 1.376(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.377(6) . ?
C45 H45 0.9300 . ?
C46 C47 1.381(5) . ?
C46 H46 0.9300 . ?
C47 H47 0.9300 . ?
C48 H48 0.9800 . ?
