#------------------------------------------------------------------------------
#$Date: 2023-08-05 11:40:04 +0300 (Sat, 05 Aug 2023) $
#$Revision: 285463 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/18/7131889.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_7131889
loop_
_publ_author_name
'Ayson, Patricia Rose H.'
'Brown, Seth N.'
_publ_section_title
;
 Slip to π Ru: structural distortions due to metal-iminoxolene
 π bonding.
;
_journal_issue                   63
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9618
_journal_page_last               9621
_journal_paper_doi               10.1039/d3cc02943c
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C70 H89 N2 O2 P Ru, 2 (C H2 Cl2)'
_chemical_formula_sum            'C72 H93 Cl4 N2 O2 P Ru'
_chemical_formula_weight         1292.32
_chemical_name_common            '(Diso)2Ru(PPh3) . 2 CH2Cl2'
_chemical_name_systematic
;
 Bis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl-1,2-
benzoiminoxolene)(triphenylphosphine)ruthenium 
bis(dichloromethane) solvate
;
_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
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2023-06-15 deposited with the CCDC.	2023-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                101.7895(16)
_cell_angle_beta                 101.1562(17)
_cell_angle_gamma                107.3093(16)
_cell_formula_units_Z            2
_cell_length_a                   11.6411(12)
_cell_length_b                   15.7348(16)
_cell_length_c                   20.953(2)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.40
_cell_volume                     3451.5(6)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2015)'
_computing_data_collection       'Bruker APEX-3 (Bruker, 2015)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2015)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  'CIFTAB (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2012/2 (Sheldrick, 2012)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of ω and φ-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            106405
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.242
_diffrn_reflns_theta_min         1.903
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.449
_exptl_absorpt_correction_T_max  0.9812
_exptl_absorpt_correction_T_min  0.9289
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1364
_exptl_crystal_recrystallization_method
;
Crystals were formed by liquid diffusion of acetonitrile into
a solution of the compound dissolved in dichloromethane.
;
_exptl_crystal_size_max          0.273
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.121
_refine_diff_density_max         1.422
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         16961
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0348
_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)+(0.0461P)²+4.1372P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15197
_reflns_number_total             16961
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc02943c2.cif
_cod_data_source_block           diso2rupph3
_cod_depositor_comments
'Adding full bibliography for 7131884--7131891.cif.'
_cod_database_code               7131889
_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   0.887
_shelx_estimated_absorpt_t_max   0.948
_shelxl_version_number           2013-4
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
Ru Ru 0.98828(2) 0.77044(2) 0.74799(2) 0.00871(4) Uani 1 1 d . . . . .
P P 0.84326(4) 0.83584(3) 0.76829(2) 0.01119(9) Uani 1 1 d . . . . .
O1 O 0.83049(11) 0.65357(9) 0.69544(6) 0.0128(2) Uani 1 1 d . . . . .
O2 O 1.15948(11) 0.86349(9) 0.80038(6) 0.0118(2) Uani 1 1 d . . . . .
N1 N 0.99985(13) 0.68701(10) 0.80348(7) 0.0116(3) Uani 1 1 d . . . . .
N2 N 1.04016(13) 0.82658(10) 0.67643(7) 0.0104(3) Uani 1 1 d . . . . .
C11 C 0.81196(16) 0.58642(12) 0.72526(9) 0.0126(3) Uani 1 1 d . . . . .
C12 C 0.90614(16) 0.60074(12) 0.78445(9) 0.0130(3) Uani 1 1 d . . . . .
C13 C 0.90033(18) 0.53402(13) 0.82011(10) 0.0171(4) Uani 1 1 d . . . . .
C14 C 0.79773(19) 0.45306(14) 0.79908(10) 0.0204(4) Uani 1 1 d . . . . .
C15 C 0.70336(19) 0.43996(14) 0.74063(10) 0.0198(4) Uani 1 1 d . . . . .
C16 C 0.70560(17) 0.50260(13) 0.70259(9) 0.0158(3) Uani 1 1 d . . . . .
C17 C 0.59510(18) 0.48353(14) 0.64130(10) 0.0191(4) Uani 1 1 d . . . . .
C171 C 0.5002(2) 0.38438(16) 0.62254(12) 0.0283(5) Uani 1 1 d . . . . .
C172 C 0.6409(2) 0.49552(16) 0.57864(10) 0.0238(4) Uani 1 1 d . . . . .
C173 C 0.5248(2) 0.54953(16) 0.65865(12) 0.0246(4) Uani 1 1 d . . . . .
C18 C 0.7835(2) 0.38343(16) 0.84123(13) 0.0322(5) Uani 1 1 d D . . . .
C181 C 0.7431(5) 0.4188(3) 0.9009(2) 0.0661(14) Uani 0.843(4) 1 d . . P A 1
H18A H 0.7271 0.3723 0.9259 0.099 Uiso 0.843(4) 1 calc R U P A 1
H18B H 0.6664 0.4316 0.8857 0.099 Uiso 0.843(4) 1 calc R U P A 1
H18C H 0.8090 0.4761 0.9304 0.099 Uiso 0.843(4) 1 calc R U P A 1
C182 C 0.9110(3) 0.3685(2) 0.8629(2) 0.0525(11) Uani 0.843(4) 1 d . . P A 1
H18D H 0.9366 0.3473 0.8224 0.079 Uiso 0.843(4) 1 calc R U P A 1
H18E H 0.9012 0.3217 0.8879 0.079 Uiso 0.843(4) 1 calc R U P A 1
H18F H 0.9749 0.4271 0.8919 0.079 Uiso 0.843(4) 1 calc R U P A 1
C183 C 0.6902(3) 0.2870(2) 0.80007(18) 0.0385(7) Uani 0.843(4) 1 d . . P A 1
H18G H 0.7067 0.2699 0.7560 0.058 Uiso 0.843(4) 1 calc R U P A 1
H18H H 0.6049 0.2879 0.7933 0.058 Uiso 0.843(4) 1 calc R U P A 1
H18I H 0.6993 0.2417 0.8246 0.058 Uiso 0.843(4) 1 calc R U P A 1
C184 C 0.754(3) 0.2855(8) 0.7990(11) 0.0661(14) Uani 0.157(4) 1 d D . P A 2
H18P H 0.7123 0.2415 0.8215 0.099 Uiso 0.157(4) 1 calc R U P A 2
H18Q H 0.8320 0.2764 0.7940 0.099 Uiso 0.157(4) 1 calc R U P A 2
H18R H 0.6991 0.2751 0.7542 0.099 Uiso 0.157(4) 1 calc R U P A 2
C185 C 0.6600(13) 0.3798(14) 0.8643(11) 0.0525(11) Uani 0.157(4) 1 d D . P A 2
H18M H 0.6734 0.4400 0.8950 0.079 Uiso 0.157(4) 1 calc R U P A 2
H18N H 0.6402 0.3316 0.8876 0.079 Uiso 0.157(4) 1 calc R U P A 2
H18O H 0.5904 0.3657 0.8243 0.079 Uiso 0.157(4) 1 calc R U P A 2
C186 C 0.8832(14) 0.4189(10) 0.9109(6) 0.0385(7) Uani 0.157(4) 1 d D . P A 2
H18J H 0.8798 0.4769 0.9371 0.058 Uiso 0.157(4) 1 calc R U P A 2
H18K H 0.9665 0.4299 0.9038 0.058 Uiso 0.157(4) 1 calc R U P A 2
H18L H 0.8662 0.3723 0.9359 0.058 Uiso 0.157(4) 1 calc R U P A 2
C21 C 1.22506(16) 0.90601(12) 0.76425(9) 0.0112(3) Uani 1 1 d . . . . .
C22 C 1.16313(16) 0.88602(12) 0.69496(9) 0.0113(3) Uani 1 1 d . . . . .
C23 C 1.22714(16) 0.92157(13) 0.65005(9) 0.0132(3) Uani 1 1 d . . . . .
C24 C 1.34955(16) 0.98104(13) 0.67400(9) 0.0139(3) Uani 1 1 d . . . . .
C25 C 1.40876(16) 1.00251(13) 0.74401(9) 0.0150(3) Uani 1 1 d . . . . .
C26 C 1.35262(16) 0.96627(12) 0.78981(9) 0.0132(3) Uani 1 1 d . . . . .
C27 C 1.42501(17) 0.98527(14) 0.86358(9) 0.0168(4) Uani 1 1 d . . . . .
C271 C 1.56036(19) 1.05080(17) 0.87988(11) 0.0259(4) Uani 1 1 d . . . . .
C272 C 1.3616(2) 1.02873(19) 0.91169(11) 0.0281(5) Uani 1 1 d . . . . .
C273 C 1.4282(2) 0.89349(16) 0.87704(11) 0.0242(4) Uani 1 1 d . . . . .
C28 C 1.41872(17) 1.02585(14) 0.62728(10) 0.0178(4) Uani 1 1 d . . . . .
C281 C 1.3633(2) 0.9663(2) 0.55369(12) 0.0381(6) Uani 1 1 d . . . . .
C282 C 1.4080(2) 1.12156(19) 0.63203(16) 0.0353(6) Uani 1 1 d . . . . .
C283 C 1.55748(19) 1.03831(16) 0.64688(12) 0.0230(4) Uani 1 1 d . . . . .
C31 C 1.10966(16) 0.69835(12) 0.85533(9) 0.0130(3) Uani 1 1 d . . . . .
C32 C 1.19657(17) 0.65919(13) 0.83675(10) 0.0169(4) Uani 1 1 d . . . . .
C33 C 1.29906(19) 0.66686(15) 0.88779(11) 0.0217(4) Uani 1 1 d . . . . .
C34 C 1.31457(19) 0.71063(15) 0.95488(11) 0.0222(4) Uani 1 1 d . . . . .
C35 C 1.22830(18) 0.74868(14) 0.97189(10) 0.0196(4) Uani 1 1 d . . . . .
C36 C 1.12491(17) 0.74375(13) 0.92282(9) 0.0154(3) Uani 1 1 d . . . . .
C37 C 1.02981(19) 0.78303(14) 0.94393(10) 0.0194(4) Uani 1 1 d . . . . .
C371 C 1.0895(2) 0.88167(16) 0.99051(12) 0.0293(5) Uani 1 1 d . . . . .
C372 C 0.9497(2) 0.72009(18) 0.97736(14) 0.0321(5) Uani 1 1 d . . . . .
C38 C 1.18493(19) 0.61176(15) 0.76389(10) 0.0212(4) Uani 1 1 d . . . . .
C381 C 1.2911(2) 0.66715(19) 0.73952(12) 0.0288(5) Uani 1 1 d . . . . .
C382 C 1.1815(3) 0.51208(19) 0.75498(15) 0.0381(6) Uani 1 1 d . . . . .
C41 C 0.97780(16) 0.80019(13) 0.60520(9) 0.0131(3) Uani 1 1 d . . . . .
C42 C 0.92253(17) 0.85772(14) 0.57725(9) 0.0171(4) Uani 1 1 d . . . . .
C43 C 0.86009(19) 0.82585(17) 0.50836(10) 0.0247(4) Uani 1 1 d . . . . .
C44 C 0.8526(2) 0.74197(18) 0.46864(11) 0.0293(5) Uani 1 1 d . . . . .
C45 C 0.9105(2) 0.68800(17) 0.49643(10) 0.0262(4) Uani 1 1 d . . . . .
C46 C 0.97644(17) 0.71689(14) 0.56500(9) 0.0172(4) Uani 1 1 d . . . . .
C47 C 1.05348(18) 0.66272(14) 0.59177(10) 0.0187(4) Uani 1 1 d . . . . .
C471 C 1.1580(2) 0.66762(16) 0.55651(12) 0.0247(4) Uani 1 1 d . . . . .
C472 C 0.9758(2) 0.56248(15) 0.58452(12) 0.0256(4) Uani 1 1 d . . . . .
C48 C 0.92877(19) 0.95084(15) 0.61890(11) 0.0224(4) Uani 1 1 d . . . . .
C481 C 1.0309(3) 1.0317(2) 0.6104(3) 0.0551(10) Uani 1 1 d . . . . .
C482 C 0.8070(2) 0.97015(19) 0.60227(16) 0.0331(5) Uani 1 1 d . . . . .
C51 C 0.90643(17) 0.96218(13) 0.79416(9) 0.0150(3) Uani 1 1 d . . . . .
C52 C 1.02517(18) 1.00575(14) 0.83946(11) 0.0204(4) Uani 1 1 d . . . . .
C53 C 1.0749(2) 1.10180(15) 0.86421(12) 0.0260(4) Uani 1 1 d . . . . .
C54 C 1.0079(2) 1.15494(15) 0.84237(13) 0.0286(5) Uani 1 1 d . . . . .
C55 C 0.8905(2) 1.11194(16) 0.79706(13) 0.0304(5) Uani 1 1 d . . . . .
C56 C 0.8391(2) 1.01597(15) 0.77338(11) 0.0233(4) Uani 1 1 d . . . . .
C61 C 0.77514(16) 0.80892(13) 0.83642(9) 0.0144(3) Uani 1 1 d . . . . .
C62 C 0.78665(18) 0.87700(14) 0.89386(10) 0.0189(4) Uani 1 1 d . . . . .
C63 C 0.7265(2) 0.85301(17) 0.94210(11) 0.0249(4) Uani 1 1 d . . . . .
C64 C 0.6550(2) 0.76202(18) 0.93371(11) 0.0270(5) Uani 1 1 d . . . . .
C65 C 0.6437(2) 0.69367(16) 0.87686(11) 0.0244(4) Uani 1 1 d . . . . .
C66 C 0.70344(18) 0.71694(14) 0.82848(10) 0.0185(4) Uani 1 1 d . . . . .
C71 C 0.70215(16) 0.80234(12) 0.69897(9) 0.0136(3) Uani 1 1 d . . . . .
C72 C 0.59572(17) 0.81979(14) 0.71084(10) 0.0177(4) Uani 1 1 d . . . . .
C73 C 0.49004(18) 0.79592(15) 0.65743(11) 0.0210(4) Uani 1 1 d . . . . .
C74 C 0.48861(18) 0.75399(15) 0.59214(11) 0.0219(4) Uani 1 1 d . . . . .
C75 C 0.59254(18) 0.73489(14) 0.58032(10) 0.0195(4) Uani 1 1 d . . . . .
C76 C 0.69867(17) 0.75856(13) 0.63350(9) 0.0152(3) Uani 1 1 d . . . . .
C1 C 1.1213(3) 0.6711(2) 0.35551(16) 0.0450(7) Uani 1 1 d . . . . .
H1A H 1.1334 0.6261 0.3192 0.054 Uiso 1 1 calc R U . . .
H1B H 1.0711 0.6358 0.3809 0.054 Uiso 1 1 calc R U . . .
Cl1 Cl 1.26785(8) 0.74397(6) 0.41076(4) 0.0579(2) Uani 1 1 d . . . . .
Cl2 Cl 1.03973(11) 0.73400(7) 0.31899(6) 0.0761(3) Uani 1 1 d . . . . .
C2 C 0.2988(6) 0.2015(4) 0.7844(3) 0.0662(16) Uani 0.6570(14) 1 d . . P . .
H2A H 0.3418 0.1631 0.7626 0.079 Uiso 0.6570(14) 1 calc R U P . .
H2B H 0.2157 0.1597 0.7837 0.079 Uiso 0.6570(14) 1 calc R U P . .
Cl3 Cl 0.38751(16) 0.26024(14) 0.86982(11) 0.0935(6) Uani 0.6570(14) 1 d . . P .
.
Cl4 Cl 0.2798(2) 0.27836(14) 0.73948(10) 0.0880(5) Uani 0.6570(14) 1 d . . P . .
C3 C 0.3441(10) 0.4650(9) 0.9209(6) 0.0662(16) Uani 0.2186(15) 1 d D . P B -1
H3A H 0.2986 0.5052 0.9071 0.079 Uiso 0.2186(15) 1 calc R U P B -1
H3B H 0.3550 0.4278 0.8798 0.079 Uiso 0.2186(15) 1 calc R U P B -1
Cl5 Cl 0.4914(5) 0.5335(4) 0.9782(4) 0.0935(6) Uani 0.2186(15) 1 d D . P B -1
Cl6 Cl 0.2595(6) 0.3918(4) 0.9615(3) 0.0880(5) Uani 0.2186(15) 1 d D . P B -1
C4 C 0.3974(13) 0.4478(18) 0.9829(10) 0.0662(16) Uani 0.1245(15) 1 d D . P C -2
H4A H 0.4158 0.3904 0.9832 0.079 Uiso 0.1245(15) 1 calc R U P C -2
H4B H 0.4122 0.4867 1.0294 0.079 Uiso 0.1245(15) 1 calc R U P C -2
Cl7 Cl 0.4622(9) 0.5090(8) 0.9281(6) 0.0935(6) Uani 0.1245(15) 1 d D . P C -2
Cl8 Cl 0.2528(10) 0.4313(8) 0.9258(5) 0.0880(5) Uani 0.1245(15) 1 d D . P C -2
H13 H 0.967(2) 0.5497(17) 0.8598(12) 0.019(6) Uiso 1 1 d . . . . .
H15 H 0.632(2) 0.3854(17) 0.7262(12) 0.020(6) Uiso 1 1 d . . . . .
H17A H 0.435(3) 0.376(2) 0.5835(15) 0.035(7) Uiso 1 1 d . . . . .
H17B H 0.467(2) 0.3718(18) 0.6566(14) 0.026(7) Uiso 1 1 d . . . . .
H17C H 0.540(2) 0.3374(19) 0.6110(13) 0.026(7) Uiso 1 1 d . . . . .
H17D H 0.569(3) 0.481(2) 0.5392(15) 0.039(8) Uiso 1 1 d . . . . .
H17E H 0.685(3) 0.452(2) 0.5677(15) 0.037(8) Uiso 1 1 d . . . . .
H17F H 0.694(3) 0.556(2) 0.5855(14) 0.032(7) Uiso 1 1 d . . . . .
H17G H 0.491(3) 0.5380(19) 0.6977(15) 0.033(7) Uiso 1 1 d . . . . .
H17H H 0.579(2) 0.6125(18) 0.6706(13) 0.022(6) Uiso 1 1 d . . . . .
H17I H 0.457(3) 0.537(2) 0.6202(15) 0.036(7) Uiso 1 1 d . . . . .
H23 H 1.183(2) 0.9033(16) 0.6023(12) 0.015(5) Uiso 1 1 d . . . . .
H25 H 1.492(2) 1.0438(16) 0.7616(11) 0.013(5) Uiso 1 1 d . . . . .
H27A H 1.604(3) 1.058(2) 0.9284(15) 0.035(7) Uiso 1 1 d . . . . .
H27B H 1.611(3) 1.027(2) 0.8530(15) 0.038(8) Uiso 1 1 d . . . . .
H27C H 1.566(3) 1.113(2) 0.8726(14) 0.030(7) Uiso 1 1 d . . . . .
H27D H 1.363(3) 1.086(2) 0.9046(15) 0.034(8) Uiso 1 1 d . . . . .
H27E H 1.275(3) 0.9876(19) 0.9052(13) 0.029(7) Uiso 1 1 d . . . . .
H27F H 1.411(3) 1.042(2) 0.9590(16) 0.041(8) Uiso 1 1 d . . . . .
H27G H 1.341(3) 0.848(2) 0.8700(14) 0.036(7) Uiso 1 1 d . . . . .
H27H H 1.476(3) 0.9044(19) 0.9244(14) 0.031(7) Uiso 1 1 d . . . . .
H27I H 1.473(3) 0.863(2) 0.8468(15) 0.035(7) Uiso 1 1 d . . . . .
H28A H 1.362(3) 0.905(3) 0.5478(18) 0.060(11) Uiso 1 1 d . . . . .
H28B H 1.399(3) 0.995(2) 0.5251(17) 0.046(9) Uiso 1 1 d . . . . .
H28C H 1.276(3) 0.959(2) 0.5349(16) 0.045(9) Uiso 1 1 d . . . . .
H28D H 1.445(3) 1.159(2) 0.6782(16) 0.036(8) Uiso 1 1 d . . . . .
H28E H 1.317(3) 1.113(2) 0.6174(15) 0.042(8) Uiso 1 1 d . . . . .
H28F H 1.445(3) 1.150(2) 0.5980(17) 0.050(9) Uiso 1 1 d . . . . .
H28G H 1.567(3) 0.979(2) 0.6468(16) 0.043(8) Uiso 1 1 d . . . . .
H28H H 1.603(3) 1.080(2) 0.6921(15) 0.035(7) Uiso 1 1 d . . . . .
H28I H 1.598(2) 1.0616(18) 0.6156(14) 0.027(7) Uiso 1 1 d . . . . .
H33 H 1.359(2) 0.6413(17) 0.8753(13) 0.022(6) Uiso 1 1 d . . . . .
H34 H 1.382(3) 0.7161(19) 0.9871(14) 0.030(7) Uiso 1 1 d . . . . .
H35 H 1.240(3) 0.7787(19) 1.0184(14) 0.030(7) Uiso 1 1 d . . . . .
H37 H 0.975(3) 0.7828(18) 0.9046(14) 0.029(7) Uiso 1 1 d . . . . .
H37A H 1.024(3) 0.910(2) 0.9993(14) 0.034(7) Uiso 1 1 d . . . . .
H37B H 1.139(3) 0.882(2) 1.0362(15) 0.034(7) Uiso 1 1 d . . . . .
H37C H 1.141(3) 0.919(2) 0.9712(17) 0.053(10) Uiso 1 1 d . . . . .
H37D H 1.002(3) 0.715(2) 1.0159(16) 0.040(8) Uiso 1 1 d . . . . .
H37E H 0.892(3) 0.747(2) 0.9918(15) 0.036(7) Uiso 1 1 d . . . . .
H37F H 0.907(3) 0.659(2) 0.9464(17) 0.051(9) Uiso 1 1 d . . . . .
H38 H 1.109(2) 0.6083(17) 0.7355(13) 0.023(6) Uiso 1 1 d . . . . .
H38A H 1.288(3) 0.727(2) 0.7423(15) 0.039(8) Uiso 1 1 d . . . . .
H38B H 1.284(3) 0.636(2) 0.6937(15) 0.037(8) Uiso 1 1 d . . . . .
H38C H 1.374(3) 0.6726(19) 0.7676(14) 0.031(7) Uiso 1 1 d . . . . .
H38D H 1.262(3) 0.514(2) 0.7774(17) 0.050(9) Uiso 1 1 d . . . . .
H38E H 1.169(3) 0.482(2) 0.7059(16) 0.040(8) Uiso 1 1 d . . . . .
H38F H 1.112(3) 0.479(2) 0.7685(17) 0.050(9) Uiso 1 1 d . . . . .
H43 H 0.819(3) 0.8632(19) 0.4903(14) 0.029(7) Uiso 1 1 d . . . . .
H44 H 0.812(3) 0.722(2) 0.4260(16) 0.039(8) Uiso 1 1 d . . . . .
H45 H 0.908(3) 0.631(2) 0.4708(15) 0.036(8) Uiso 1 1 d . . . . .
H47 H 1.094(2) 0.6933(17) 0.6402(12) 0.018(6) Uiso 1 1 d . . . . .
H47A H 1.212(3) 0.636(2) 0.5725(15) 0.038(8) Uiso 1 1 d . . . . .
H47B H 1.127(3) 0.639(2) 0.5082(15) 0.034(7) Uiso 1 1 d . . . . .
H47C H 1.207(3) 0.733(2) 0.5621(13) 0.029(7) Uiso 1 1 d . . . . .
H47D H 1.033(3) 0.5281(19) 0.5998(14) 0.032(7) Uiso 1 1 d . . . . .
H47E H 0.931(3) 0.5298(19) 0.5377(15) 0.032(7) Uiso 1 1 d . . . . .
H47F H 0.921(3) 0.5586(18) 0.6114(14) 0.028(7) Uiso 1 1 d . . . . .
H48 H 0.946(3) 0.950(2) 0.6669(15) 0.036(7) Uiso 1 1 d . . . . .
H48A H 1.013(5) 1.026(4) 0.570(3) 0.10(2) Uiso 1 1 d . . . . .
H48B H 1.119(4) 1.028(3) 0.6257(19) 0.068(11) Uiso 1 1 d . . . . .
H48C H 1.030(3) 1.088(3) 0.6377(19) 0.062(11) Uiso 1 1 d . . . . .
H48D H 0.814(3) 1.029(2) 0.6336(16) 0.042(8) Uiso 1 1 d . . . . .
H48E H 0.786(3) 0.972(2) 0.5551(17) 0.048(9) Uiso 1 1 d . . . . .
H48F H 0.735(3) 0.919(2) 0.6060(17) 0.054(9) Uiso 1 1 d . . . . .
H52 H 1.074(3) 0.970(2) 0.8538(14) 0.033(7) Uiso 1 1 d . . . . .
H53 H 1.153(3) 1.1302(19) 0.8955(14) 0.028(7) Uiso 1 1 d . . . . .
H54 H 1.042(3) 1.218(2) 0.8569(14) 0.031(7) Uiso 1 1 d . . . . .
H55 H 0.844(3) 1.147(2) 0.7813(17) 0.051(9) Uiso 1 1 d . . . . .
H56 H 0.760(3) 0.987(2) 0.7427(15) 0.034(7) Uiso 1 1 d . . . . .
H62 H 0.833(2) 0.9404(18) 0.9006(12) 0.021(6) Uiso 1 1 d . . . . .
H63 H 0.735(3) 0.9003(19) 0.9806(14) 0.032(7) Uiso 1 1 d . . . . .
H64 H 0.614(3) 0.749(2) 0.9668(15) 0.039(8) Uiso 1 1 d . . . . .
H65 H 0.596(3) 0.633(2) 0.8691(14) 0.033(7) Uiso 1 1 d . . . . .
H66 H 0.694(2) 0.6717(18) 0.7906(13) 0.023(6) Uiso 1 1 d . . . . .
H72 H 0.595(2) 0.8461(17) 0.7573(13) 0.022(6) Uiso 1 1 d . . . . .
H73 H 0.418(3) 0.8094(18) 0.6656(13) 0.028(7) Uiso 1 1 d . . . . .
H74 H 0.418(2) 0.7369(17) 0.5561(13) 0.022(6) Uiso 1 1 d . . . . .
H75 H 0.594(2) 0.7055(17) 0.5363(13) 0.021(6) Uiso 1 1 d . . . . .
H76 H 0.768(2) 0.7470(16) 0.6248(12) 0.016(6) 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'
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'
Cl Cl 0.1484 0.1585 '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 Ru N2 149.54(6) . . ?
N1 Ru O2 92.74(6) . . ?
N2 Ru O2 79.05(5) . . ?
N1 Ru O1 78.21(6) . . ?
N2 Ru O1 104.48(5) . . ?
O2 Ru O1 167.64(5) . . ?
N1 Ru P 110.41(5) . . ?
N2 Ru P 100.00(4) . . ?
O2 Ru P 108.04(4) . . ?
O1 Ru P 83.23(4) . . ?
C51 P C61 102.89(8) . . ?
C51 P C71 106.21(8) . . ?
C61 P C71 100.72(8) . . ?
C51 P Ru 113.16(6) . . ?
C61 P Ru 115.70(6) . . ?
C71 P Ru 116.51(6) . . ?
C11 O1 Ru 114.24(11) . . ?
C21 O2 Ru 115.57(11) . . ?
C12 N1 C31 115.14(14) . . ?
C12 N1 Ru 118.21(12) . . ?
C31 N1 Ru 125.41(11) . . ?
C22 N2 C41 114.99(14) . . ?
C22 N2 Ru 114.67(11) . . ?
C41 N2 Ru 128.96(11) . . ?
O1 C11 C12 115.97(15) . . ?
O1 C11 C16 125.17(16) . . ?
C12 C11 C16 118.86(16) . . ?
N1 C12 C13 124.75(17) . . ?
N1 C12 C11 113.17(15) . . ?
C13 C12 C11 122.05(17) . . ?
C14 C13 C12 119.67(18) . . ?
C14 C13 H13 123.6(15) . . ?
C12 C13 H13 116.6(15) . . ?
C13 C14 C15 117.88(18) . . ?
C13 C14 C18 120.47(18) . . ?
C15 C14 C18 121.50(18) . . ?
C16 C15 C14 124.87(18) . . ?
C16 C15 H15 116.4(15) . . ?
C14 C15 H15 118.8(15) . . ?
C15 C16 C11 116.64(17) . . ?
C15 C16 C17 120.79(17) . . ?
C11 C16 C17 122.51(17) . . ?
C173 C17 C172 110.32(18) . . ?
C173 C17 C171 106.87(18) . . ?
C172 C17 C171 107.27(17) . . ?
C173 C17 C16 109.34(16) . . ?
C172 C17 C16 110.80(16) . . ?
C171 C17 C16 112.15(17) . . ?
C17 C171 H17A 108.6(17) . . ?
C17 C171 H17B 113.2(17) . . ?
H17A C171 H17B 110(2) . . ?
C17 C171 H17C 111.4(16) . . ?
H17A C171 H17C 108(2) . . ?
H17B C171 H17C 106(2) . . ?
C17 C172 H17D 109.9(17) . . ?
C17 C172 H17E 109.3(17) . . ?
H17D C172 H17E 108(2) . . ?
C17 C172 H17F 111.5(17) . . ?
H17D C172 H17F 108(2) . . ?
H17E C172 H17F 110(2) . . ?
C17 C173 H17G 109.4(16) . . ?
C17 C173 H17H 110.7(15) . . ?
H17G C173 H17H 109(2) . . ?
C17 C173 H17I 108.3(18) . . ?
H17G C173 H17I 109(2) . . ?
H17H C173 H17I 111(2) . . ?
C181 C18 C183 110.0(3) . . ?
C181 C18 C14 109.1(2) . . ?
C184 C18 C14 112.5(8) . . ?
C183 C18 C14 112.3(2) . . ?
C184 C18 C186 118.0(14) . . ?
C14 C18 C186 113.9(6) . . ?
C181 C18 C182 111.5(3) . . ?
C183 C18 C182 104.8(3) . . ?
C14 C18 C182 109.2(2) . . ?
C184 C18 C185 104.1(15) . . ?
C14 C18 C185 105.1(6) . . ?
C186 C18 C185 101.1(11) . . ?
C18 C181 H18A 109.5 . . ?
C18 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
C18 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C18 C182 H18D 109.5 . . ?
C18 C182 H18E 109.5 . . ?
H18D C182 H18E 109.5 . . ?
C18 C182 H18F 109.5 . . ?
H18D C182 H18F 109.5 . . ?
H18E C182 H18F 109.5 . . ?
C18 C183 H18G 109.5 . . ?
C18 C183 H18H 109.5 . . ?
H18G C183 H18H 109.5 . . ?
C18 C183 H18I 109.5 . . ?
H18G C183 H18I 109.5 . . ?
H18H C183 H18I 109.5 . . ?
C18 C184 H18P 109.5 . . ?
C18 C184 H18Q 109.5 . . ?
H18P C184 H18Q 109.5 . . ?
C18 C184 H18R 109.5 . . ?
H18P C184 H18R 109.5 . . ?
H18Q C184 H18R 109.5 . . ?
C18 C185 H18M 109.5 . . ?
C18 C185 H18N 109.5 . . ?
H18M C185 H18N 109.5 . . ?
C18 C185 H18O 109.5 . . ?
H18M C185 H18O 109.5 . . ?
H18N C185 H18O 109.5 . . ?
C18 C186 H18J 109.5 . . ?
C18 C186 H18K 109.5 . . ?
H18J C186 H18K 109.5 . . ?
C18 C186 H18L 109.5 . . ?
H18J C186 H18L 109.5 . . ?
H18K C186 H18L 109.5 . . ?
O2 C21 C22 115.88(15) . . ?
O2 C21 C26 124.50(16) . . ?
C22 C21 C26 119.58(16) . . ?
N2 C22 C23 124.96(16) . . ?
N2 C22 C21 114.03(15) . . ?
C23 C22 C21 120.94(16) . . ?
C24 C23 C22 120.23(16) . . ?
C24 C23 H23 120.9(14) . . ?
C22 C23 H23 118.9(14) . . ?
C23 C24 C25 117.88(16) . . ?
C23 C24 C28 121.38(16) . . ?
C25 C24 C28 120.70(16) . . ?
C26 C25 C24 124.42(17) . . ?
C26 C25 H25 116.3(14) . . ?
C24 C25 H25 119.3(14) . . ?
C25 C26 C21 116.83(16) . . ?
C25 C26 C27 121.99(16) . . ?
C21 C26 C27 121.09(16) . . ?
C272 C27 C271 108.08(18) . . ?
C272 C27 C26 110.35(16) . . ?
C271 C27 C26 112.36(16) . . ?
C272 C27 C273 108.99(18) . . ?
C271 C27 C273 107.71(17) . . ?
C26 C27 C273 109.25(16) . . ?
C27 C271 H27A 108.6(16) . . ?
C27 C271 H27B 114.2(18) . . ?
H27A C271 H27B 104(2) . . ?
C27 C271 H27C 112.1(16) . . ?
H27A C271 H27C 111(2) . . ?
H27B C271 H27C 107(2) . . ?
C27 C272 H27D 108.6(18) . . ?
C27 C272 H27E 111.8(16) . . ?
H27D C272 H27E 111(2) . . ?
C27 C272 H27F 109.1(18) . . ?
H27D C272 H27F 107(2) . . ?
H27E C272 H27F 110(2) . . ?
C27 C273 H27G 111.9(16) . . ?
C27 C273 H27H 110.6(16) . . ?
H27G C273 H27H 108(2) . . ?
C27 C273 H27I 111.7(16) . . ?
H27G C273 H27I 109(2) . . ?
H27H C273 H27I 106(2) . . ?
C281 C28 C283 107.35(19) . . ?
C281 C28 C282 109.0(2) . . ?
C283 C28 C282 108.23(18) . . ?
C281 C28 C24 111.03(17) . . ?
C283 C28 C24 111.86(16) . . ?
C282 C28 C24 109.30(17) . . ?
C28 C281 H28A 113(2) . . ?
C28 C281 H28B 111(2) . . ?
H28A C281 H28B 114(3) . . ?
C28 C281 H28C 113.6(19) . . ?
H28A C281 H28C 104(3) . . ?
H28B C281 H28C 100(3) . . ?
C28 C282 H28D 108.2(18) . . ?
C28 C282 H28E 108.3(18) . . ?
H28D C282 H28E 111(3) . . ?
C28 C282 H28F 111.1(19) . . ?
H28D C282 H28F 114(3) . . ?
H28E C282 H28F 104(2) . . ?
C28 C283 H28G 110.1(19) . . ?
C28 C283 H28H 113.4(17) . . ?
H28G C283 H28H 106(2) . . ?
C28 C283 H28I 111.4(16) . . ?
H28G C283 H28I 107(2) . . ?
H28H C283 H28I 108(2) . . ?
C36 C31 C32 121.29(16) . . ?
C36 C31 N1 120.01(16) . . ?
C32 C31 N1 118.63(16) . . ?
C33 C32 C31 118.04(18) . . ?
C33 C32 C38 119.20(17) . . ?
C31 C32 C38 122.74(17) . . ?
C34 C33 C32 121.30(19) . . ?
C34 C33 H33 120.3(15) . . ?
C32 C33 H33 118.4(15) . . ?
C35 C34 C33 119.65(18) . . ?
C35 C34 H34 120.0(18) . . ?
C33 C34 H34 120.4(18) . . ?
C34 C35 C36 121.38(19) . . ?
C34 C35 H35 119.1(17) . . ?
C36 C35 H35 119.5(17) . . ?
C35 C36 C31 118.34(17) . . ?
C35 C36 C37 119.71(17) . . ?
C31 C36 C37 121.88(16) . . ?
C36 C37 C371 112.73(18) . . ?
C36 C37 C372 110.45(17) . . ?
C371 C37 C372 110.36(19) . . ?
C36 C37 H37 108.2(16) . . ?
C371 C37 H37 109.0(17) . . ?
C372 C37 H37 105.9(17) . . ?
C37 C371 H37A 111.5(17) . . ?
C37 C371 H37B 110.3(16) . . ?
H37A C371 H37B 107(2) . . ?
C37 C371 H37C 110(2) . . ?
H37A C371 H37C 108(3) . . ?
H37B C371 H37C 110(3) . . ?
C37 C372 H37D 109.1(19) . . ?
C37 C372 H37E 109.6(18) . . ?
H37D C372 H37E 108(2) . . ?
C37 C372 H37F 110(2) . . ?
H37D C372 H37F 109(3) . . ?
H37E C372 H37F 111(3) . . ?
C32 C38 C381 110.65(18) . . ?
C32 C38 C382 111.63(19) . . ?
C381 C38 C382 110.7(2) . . ?
C32 C38 H38 109.8(15) . . ?
C381 C38 H38 107.4(16) . . ?
C382 C38 H38 106.5(16) . . ?
C38 C381 H38A 109.7(18) . . ?
C38 C381 H38B 110.3(18) . . ?
H38A C381 H38B 110(3) . . ?
C38 C381 H38C 110.9(16) . . ?
H38A C381 H38C 109(2) . . ?
H38B C381 H38C 107(2) . . ?
C38 C382 H38D 108(2) . . ?
C38 C382 H38E 109.3(18) . . ?
H38D C382 H38E 105(3) . . ?
C38 C382 H38F 108(2) . . ?
H38D C382 H38F 118(3) . . ?
H38E C382 H38F 108(3) . . ?
C46 C41 C42 121.66(17) . . ?
C46 C41 N2 117.60(16) . . ?
C42 C41 N2 120.73(16) . . ?
C43 C42 C41 117.31(19) . . ?
C43 C42 C48 119.91(18) . . ?
C41 C42 C48 122.78(17) . . ?
C44 C43 C42 121.8(2) . . ?
C44 C43 H43 121.1(16) . . ?
C42 C43 H43 117.0(16) . . ?
C43 C44 C45 120.02(19) . . ?
C43 C44 H44 121(2) . . ?
C45 C44 H44 119(2) . . ?
C44 C45 C46 120.9(2) . . ?
C44 C45 H45 122.3(18) . . ?
C46 C45 H45 116.8(18) . . ?
C45 C46 C41 118.16(19) . . ?
C45 C46 C47 119.51(18) . . ?
C41 C46 C47 122.07(16) . . ?
C46 C47 C472 113.38(17) . . ?
C46 C47 C471 109.02(17) . . ?
C472 C47 C471 111.24(17) . . ?
C46 C47 H47 108.1(14) . . ?
C472 C47 H47 107.6(14) . . ?
C471 C47 H47 107.2(14) . . ?
C47 C471 H47A 112.9(18) . . ?
C47 C471 H47B 112.8(17) . . ?
H47A C471 H47B 105(2) . . ?
C47 C471 H47C 109.7(16) . . ?
H47A C471 H47C 110(2) . . ?
H47B C471 H47C 105(2) . . ?
C47 C472 H47D 110.1(16) . . ?
C47 C472 H47E 111.1(17) . . ?
H47D C472 H47E 107(2) . . ?
C47 C472 H47F 112.1(17) . . ?
H47D C472 H47F 106(2) . . ?
H47E C472 H47F 110(2) . . ?
C42 C48 C482 114.03(19) . . ?
C42 C48 C481 112.2(2) . . ?
C482 C48 C481 106.8(2) . . ?
C42 C48 H48 107.1(17) . . ?
C482 C48 H48 106.8(17) . . ?
C481 C48 H48 109.7(17) . . ?
C48 C481 H48A 104(4) . . ?
C48 C481 H48B 112(2) . . ?
H48A C481 H48B 109(4) . . ?
C48 C481 H48C 108(2) . . ?
H48A C481 H48C 114(4) . . ?
H48B C481 H48C 108(3) . . ?
C48 C482 H48D 110.4(18) . . ?
C48 C482 H48E 109.8(19) . . ?
H48D C482 H48E 111(3) . . ?
C48 C482 H48F 110.8(19) . . ?
H48D C482 H48F 109(3) . . ?
H48E C482 H48F 106(3) . . ?
C56 C51 C52 119.24(18) . . ?
C56 C51 P 122.89(15) . . ?
C52 C51 P 117.79(14) . . ?
C53 C52 C51 120.30(19) . . ?
C53 C52 H52 119.1(17) . . ?
C51 C52 H52 120.6(17) . . ?
C54 C53 C52 120.0(2) . . ?
C54 C53 H53 120.2(17) . . ?
C52 C53 H53 119.7(17) . . ?
C55 C54 C53 119.8(2) . . ?
C55 C54 H54 120.3(18) . . ?
C53 C54 H54 119.9(18) . . ?
C54 C55 C56 120.5(2) . . ?
C54 C55 H55 121(2) . . ?
C56 C55 H55 119(2) . . ?
C55 C56 C51 120.2(2) . . ?
C55 C56 H56 120.6(18) . . ?
C51 C56 H56 119.2(18) . . ?
C62 C61 C66 119.18(17) . . ?
C62 C61 P 122.54(15) . . ?
C66 C61 P 118.19(14) . . ?
C63 C62 C61 119.9(2) . . ?
C63 C62 H62 118.4(15) . . ?
C61 C62 H62 121.7(15) . . ?
C64 C63 C62 120.6(2) . . ?
C64 C63 H63 120.8(17) . . ?
C62 C63 H63 118.6(17) . . ?
C63 C64 C65 119.86(19) . . ?
C63 C64 H64 117.8(19) . . ?
C65 C64 H64 122.3(19) . . ?
C66 C65 C64 120.0(2) . . ?
C66 C65 H65 117.7(18) . . ?
C64 C65 H65 122.3(18) . . ?
C65 C66 C61 120.46(19) . . ?
C65 C66 H66 119.5(16) . . ?
C61 C66 H66 120.0(16) . . ?
C76 C71 C72 119.01(17) . . ?
C76 C71 P 120.26(13) . . ?
C72 C71 P 120.73(14) . . ?
C73 C72 C71 120.14(18) . . ?
C73 C72 H72 120.1(15) . . ?
C71 C72 H72 119.6(15) . . ?
C74 C73 C72 120.28(18) . . ?
C74 C73 H73 119.8(16) . . ?
C72 C73 H73 119.9(16) . . ?
C75 C74 C73 119.83(18) . . ?
C75 C74 H74 119.3(16) . . ?
C73 C74 H74 120.9(16) . . ?
C74 C75 C76 120.24(19) . . ?
C74 C75 H75 121.7(15) . . ?
C76 C75 H75 118.0(15) . . ?
C75 C76 C71 120.46(17) . . ?
C75 C76 H76 119.5(15) . . ?
C71 C76 H76 120.0(15) . . ?
Cl2 C1 Cl1 111.77(16) . . ?
Cl2 C1 H1A 109.3 . . ?
Cl1 C1 H1A 109.3 . . ?
Cl2 C1 H1B 109.3 . . ?
Cl1 C1 H1B 109.3 . . ?
H1A C1 H1B 107.9 . . ?
Cl4 C2 Cl3 111.3(3) . . ?
Cl4 C2 H2A 109.4 . . ?
Cl3 C2 H2A 109.4 . . ?
Cl4 C2 H2B 109.4 . . ?
Cl3 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
Cl6 C3 Cl5 108.2(6) . . ?
Cl6 C3 H3A 110.1 . . ?
Cl5 C3 H3A 110.1 . . ?
Cl6 C3 H3B 110.1 . . ?
Cl5 C3 H3B 110.1 . . ?
H3A C3 H3B 108.4 . . ?
Cl8 C4 Cl7 83.3(7) . . ?
Cl8 C4 H4A 114.8 . . ?
Cl7 C4 H4A 114.8 . . ?
Cl8 C4 H4B 114.8 . . ?
Cl7 C4 H4B 114.8 . . ?
H4A C4 H4B 111.8 . . ?
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
Ru N1 1.9396(15) . ?
Ru N2 1.9918(15) . ?
Ru O2 2.0201(12) . ?
Ru O1 2.0852(13) . ?
Ru P 2.2853(5) . ?
P C51 1.8227(19) . ?
P C61 1.8251(18) . ?
P C71 1.8261(18) . ?
O1 C11 1.319(2) . ?
O2 C21 1.315(2) . ?
N1 C12 1.386(2) . ?
N1 C31 1.447(2) . ?
N2 C22 1.384(2) . ?
N2 C41 1.440(2) . ?
C11 C12 1.415(2) . ?
C11 C16 1.429(2) . ?
C12 C13 1.401(3) . ?
C13 C14 1.380(3) . ?
C13 H13 0.95(2) . ?
C14 C15 1.411(3) . ?
C14 C18 1.534(3) . ?
C15 C16 1.386(3) . ?
C15 H15 0.95(3) . ?
C16 C17 1.539(3) . ?
C17 C173 1.532(3) . ?
C17 C172 1.535(3) . ?
C17 C171 1.538(3) . ?
C171 H17A 0.96(3) . ?
C171 H17B 0.91(3) . ?
C171 H17C 0.99(3) . ?
C172 H17D 0.99(3) . ?
C172 H17E 0.99(3) . ?
C172 H17F 0.94(3) . ?
C173 H17G 1.00(3) . ?
C173 H17H 0.95(3) . ?
C173 H17I 0.95(3) . ?
C18 C181 1.481(5) . ?
C18 C184 1.512(9) . ?
C18 C183 1.532(4) . ?
C18 C186 1.555(9) . ?
C18 C182 1.566(4) . ?
C18 C185 1.592(10) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 H18D 0.9800 . ?
C182 H18E 0.9800 . ?
C182 H18F 0.9800 . ?
C183 H18G 0.9800 . ?
C183 H18H 0.9800 . ?
C183 H18I 0.9800 . ?
C184 H18P 0.9800 . ?
C184 H18Q 0.9800 . ?
C184 H18R 0.9800 . ?
C185 H18M 0.9800 . ?
C185 H18N 0.9800 . ?
C185 H18O 0.9800 . ?
C186 H18J 0.9800 . ?
C186 H18K 0.9800 . ?
C186 H18L 0.9800 . ?
C21 C22 1.414(2) . ?
C21 C26 1.428(2) . ?
C22 C23 1.411(2) . ?
C23 C24 1.377(2) . ?
C23 H23 0.97(2) . ?
C24 C25 1.417(3) . ?
C24 C28 1.534(2) . ?
C25 C26 1.385(2) . ?
C25 H25 0.94(2) . ?
C26 C27 1.532(2) . ?
C27 C272 1.528(3) . ?
C27 C271 1.531(3) . ?
C27 C273 1.536(3) . ?
C271 H27A 1.01(3) . ?
C271 H27B 0.99(3) . ?
C271 H27C 1.01(3) . ?
C272 H27D 0.94(3) . ?
C272 H27E 0.99(3) . ?
C272 H27F 0.99(3) . ?
C273 H27G 1.02(3) . ?
C273 H27H 0.99(3) . ?
C273 H27I 1.03(3) . ?
C28 C281 1.529(3) . ?
C28 C283 1.529(3) . ?
C28 C282 1.533(3) . ?
C281 H28A 0.95(4) . ?
C281 H28B 0.91(3) . ?
C281 H28C 0.98(3) . ?
C282 H28D 0.96(3) . ?
C282 H28E 1.00(3) . ?
C282 H28F 1.02(3) . ?
C283 H28G 0.98(3) . ?
C283 H28H 0.98(3) . ?
C283 H28I 0.95(3) . ?
C31 C36 1.399(3) . ?
C31 C32 1.407(3) . ?
C32 C33 1.396(3) . ?
C32 C38 1.517(3) . ?
C33 C34 1.384(3) . ?
C33 H33 0.95(3) . ?
C34 C35 1.380(3) . ?
C34 H34 0.90(3) . ?
C35 C36 1.395(3) . ?
C35 H35 0.96(3) . ?
C36 C37 1.513(3) . ?
C37 C371 1.524(3) . ?
C37 C372 1.526(3) . ?
C37 H37 0.94(3) . ?
C371 H37A 1.02(3) . ?
C371 H37B 1.01(3) . ?
C371 H37C 0.92(4) . ?
C372 H37D 0.94(3) . ?
C372 H37E 0.95(3) . ?
C372 H37F 0.96(4) . ?
C38 C381 1.528(3) . ?
C38 C382 1.528(3) . ?
C38 H38 0.94(3) . ?
C381 H38A 0.95(3) . ?
C381 H38B 0.96(3) . ?
C381 H38C 1.00(3) . ?
C382 H38D 0.95(4) . ?
C382 H38E 1.00(3) . ?
C382 H38F 0.94(4) . ?
C41 C46 1.400(3) . ?
C41 C42 1.412(3) . ?
C42 C43 1.394(3) . ?
C42 C48 1.518(3) . ?
C43 C44 1.377(4) . ?
C43 H43 0.95(3) . ?
C44 C45 1.381(4) . ?
C44 H44 0.87(3) . ?
C45 C46 1.399(3) . ?
C45 H45 0.94(3) . ?
C46 C47 1.517(3) . ?
C47 C472 1.526(3) . ?
C47 C471 1.532(3) . ?
C47 H47 0.98(2) . ?
C471 H47A 0.96(3) . ?
C471 H47B 0.97(3) . ?
C471 H47C 0.98(3) . ?
C472 H47D 1.02(3) . ?
C472 H47E 0.97(3) . ?
C472 H47F 0.93(3) . ?
C48 C482 1.527(3) . ?
C48 C481 1.529(4) . ?
C48 H48 0.99(3) . ?
C481 H48A 0.82(5) . ?
C481 H48B 1.03(4) . ?
C481 H48C 0.96(4) . ?
C482 H48D 0.99(3) . ?
C482 H48E 0.98(3) . ?
C482 H48F 1.00(4) . ?
C51 C56 1.390(3) . ?
C51 C52 1.394(3) . ?
C52 C53 1.390(3) . ?
C52 H52 0.97(3) . ?
C53 C54 1.386(3) . ?
C53 H53 0.93(3) . ?
C54 C55 1.383(3) . ?
C54 H54 0.91(3) . ?
C55 C56 1.388(3) . ?
C55 H55 0.94(3) . ?
C56 H56 0.93(3) . ?
C61 C62 1.393(3) . ?
C61 C66 1.396(3) . ?
C62 C63 1.388(3) . ?
C62 H62 0.95(3) . ?
C63 C64 1.380(3) . ?
C63 H63 0.95(3) . ?
C64 C65 1.387(3) . ?
C64 H64 0.93(3) . ?
C65 C66 1.385(3) . ?
C65 H65 0.92(3) . ?
C66 H66 0.92(3) . ?
C71 C76 1.391(3) . ?
C71 C72 1.402(2) . ?
C72 C73 1.388(3) . ?
C72 H72 0.98(3) . ?
C73 C74 1.387(3) . ?
C73 H73 0.97(3) . ?
C74 C75 1.385(3) . ?
C74 H74 0.93(3) . ?
C75 C76 1.389(3) . ?
C75 H75 0.95(3) . ?
C76 H76 0.92(2) . ?
C1 Cl2 1.747(3) . ?
C1 Cl1 1.759(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 Cl4 1.715(5) . ?
C2 Cl3 1.779(7) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 Cl6 1.752(8) . ?
C3 Cl5 1.766(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 Cl8 1.778(10) . ?
C4 Cl7 1.781(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
