# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
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data_mo_LB353Cb-055
_database_code_depnum_ccdc_archive 'CCDC 1552921'
_audit_update_record             
;
2017-10-06 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H78 Cl12 N2 P2 Ru2'
_chemical_formula_weight         1288.53
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_space_group_IT_number           9
_symmetry_space_group_name_H-M   Cc
_space_group_name_Hall           'C -2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   18.725(2)
_cell_length_b                   13.2472(18)
_cell_length_c                   22.395(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.657(5)
_cell_angle_gamma                90
_cell_volume                     5543.9(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4073
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      27.11

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_F_000             2640
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    1.212
_shelx_estimated_absorpt_T_min   0.868
_shelx_estimated_absorpt_T_max   0.965
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_process_details   
; 
 TWINABS Version 2008/0 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            17328
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.822
_diffrn_reflns_theta_max         27.225
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             17328
_reflns_number_gt                16459
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_max     0.969
_reflns_Friedel_fraction_full    0.983

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 6-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0720P)²+149.6851P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_chemical_absolute_configuration ad
_refine_ls_abs_structure_Flack   -1.2(2)
_refine_ls_number_reflns         17328
_refine_ls_number_parameters     721
_refine_ls_number_restraints     644
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0768
_refine_ls_wR_factor_ref         0.2148
_refine_ls_wR_factor_gt          0.2078
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001

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 0.59306(6) 0.39974(8) 0.22185(5) 0.0188(3) Uani 1 1 d . . . . .
Ru2 Ru 0.55741(5) -0.09673(7) 0.53138(5) 0.0157(2) Uani 1 1 d . . . . .
Cl1 Cl 0.4745(2) 0.4141(3) 0.1724(2) 0.0317(10) Uani 1 1 d . . . . .
Cl2 Cl 0.5556(2) 0.2396(3) 0.26330(18) 0.0262(9) Uani 1 1 d . . . . .
Cl3 Cl 0.58762(18) -0.2486(2) 0.47982(18) 0.0229(8) Uani 1 1 d . . . . .
Cl4 Cl 0.6781(2) -0.1017(2) 0.57758(19) 0.0244(9) Uani 1 1 d . . . . .
P1 P 0.5483(2) 0.4916(3) 0.30500(18) 0.0202(9) Uani 1 1 d . . . . .
P2 P 0.60097(18) -0.0037(2) 0.44990(18) 0.0149(8) Uani 1 1 d . . . . .
N1 N 0.5870(6) 0.4584(8) 0.3719(5) 0.024(3) Uani 1 1 d . U . . .
H1N H 0.6313 0.4972 0.3641 0.029 Uiso 1 1 calc R U . . .
N2 N 0.6140(6) 0.1181(8) 0.4655(5) 0.022(3) Uani 1 1 d . U . . .
H2N H 0.5627 0.1387 0.4666 0.026 Uiso 1 1 calc R U . . .
C1 C 0.6453(8) 0.4914(4) 0.1421(3) 0.034(3) Uani 0.25 1 d D U P A 1
C2 C 0.6358(8) 0.3876(4) 0.1322(4) 0.034(3) Uani 0.25 1 d D U P A 1
H2 H 0.6083 0.3649 0.0977 0.041 Uiso 0.25 1 calc R U P A 1
C3 C 0.6667(6) 0.3171(5) 0.1727(3) 0.033(3) Uani 0.25 1 d D U P A 1
H3 H 0.6629 0.2470 0.1641 0.040 Uiso 0.25 1 calc R U P A 1
C4 C 0.7032(4) 0.3491(4) 0.2260(3) 0.033(2) Uani 0.25 1 d D U P A 1
C5 C 0.7070(10) 0.4524(4) 0.2395(4) 0.032(3) Uani 0.25 1 d D U P A 1
H5 H 0.7260 0.4750 0.2776 0.039 Uiso 0.25 1 calc R U P A 1
C6 C 0.6821(7) 0.5216(6) 0.1955(3) 0.033(3) Uani 0.25 1 d D U P A 1
H6 H 0.6904 0.5915 0.2023 0.040 Uiso 0.25 1 calc R U P A 1
C7 C 0.641(2) 0.5754(7) 0.0963(4) 0.037(5) Uani 0.25 1 d D U P A 1
H7A H 0.5938 0.6071 0.0956 0.055 Uiso 0.25 1 calc R U P A 1
H7B H 0.6489 0.5475 0.0567 0.055 Uiso 0.25 1 calc R U P A 1
H7C H 0.6781 0.6259 0.1069 0.055 Uiso 0.25 1 calc R U P A 1
C8 C 0.7486(4) 0.2754(6) 0.2631(3) 0.035(3) Uani 0.25 1 d D U P A 1
H8 H 0.7173 0.2221 0.2792 0.042 Uiso 0.25 1 calc R U P A 1
C9 C 0.8040(6) 0.2257(10) 0.2240(5) 0.037(5) Uani 0.25 1 d D U P A 1
H9A H 0.7790 0.1916 0.1899 0.055 Uiso 0.25 1 calc R U P A 1
H9B H 0.8322 0.1762 0.2480 0.055 Uiso 0.25 1 calc R U P A 1
H9C H 0.8358 0.2776 0.2095 0.055 Uiso 0.25 1 calc R U P A 1
C10 C 0.7893(8) 0.3306(11) 0.3153(4) 0.037(5) Uani 0.25 1 d D U P A 1
H10A H 0.8092 0.2809 0.3442 0.056 Uiso 0.25 1 calc R U P A 1
H10B H 0.7563 0.3753 0.3349 0.056 Uiso 0.25 1 calc R U P A 1
H10C H 0.8282 0.3705 0.3000 0.056 Uiso 0.25 1 calc R U P A 1
C1' C 0.6293(5) 0.4705(4) 0.1432(3) 0.025(2) Uani 0.75 1 d D U P A 2
C2' C 0.6390(6) 0.3670(4) 0.1337(4) 0.026(2) Uani 0.75 1 d D U P A 2
H2' H 0.6211 0.3371 0.0972 0.031 Uiso 0.75 1 calc R U P A 2
C3' C 0.6750(5) 0.3073(5) 0.1777(3) 0.022(2) Uani 0.75 1 d D U P A 2
H3' H 0.6775 0.2362 0.1724 0.027 Uiso 0.75 1 calc R U P A 2
C4' C 0.7072(4) 0.3516(4) 0.2295(3) 0.024(2) Uani 0.75 1 d D U P A 2
C5' C 0.7021(6) 0.4561(4) 0.2380(4) 0.021(2) Uani 0.75 1 d D U P A 2
H5' H 0.7233 0.4870 0.2730 0.025 Uiso 0.75 1 calc R U P A 2
C6' C 0.6650(5) 0.5141(5) 0.1936(3) 0.023(2) Uani 0.75 1 d D U P A 2
H6' H 0.6641 0.5855 0.1979 0.027 Uiso 0.75 1 calc R U P A 2
C7' C 0.5985(8) 0.5487(7) 0.0997(4) 0.044(4) Uani 0.75 1 d D U P A 2
H7'1 H 0.5741 0.5149 0.0652 0.066 Uiso 0.75 1 calc R U P A 2
H7'2 H 0.5642 0.5910 0.1195 0.066 Uiso 0.75 1 calc R U P A 2
H7'3 H 0.6372 0.5910 0.0860 0.066 Uiso 0.75 1 calc R U P A 2
C8' C 0.7527(3) 0.2888(4) 0.2733(4) 0.034(2) Uani 0.75 1 d D U P A 2
H8' H 0.7337 0.2944 0.3139 0.040 Uiso 0.75 1 calc R U P A 2
C9' C 0.7514(8) 0.1771(4) 0.2534(8) 0.053(5) Uani 0.75 1 d D U P A 2
H9'1 H 0.7811 0.1369 0.2821 0.080 Uiso 0.75 1 calc R U P A 2
H9'2 H 0.7021 0.1520 0.2518 0.080 Uiso 0.75 1 calc R U P A 2
H9'3 H 0.7702 0.1716 0.2137 0.080 Uiso 0.75 1 calc R U P A 2
C10' C 0.8306(3) 0.3262(9) 0.2761(9) 0.050(4) Uani 0.75 1 d D U P A 2
H10D H 0.8597 0.2850 0.3047 0.075 Uiso 0.75 1 calc R U P A 2
H10E H 0.8494 0.3205 0.2364 0.075 Uiso 0.75 1 calc R U P A 2
H10F H 0.8324 0.3969 0.2890 0.075 Uiso 0.75 1 calc R U P A 2
C11 C 0.5596(6) 0.6289(11) 0.3050(6) 0.039(4) Uani 1 1 d D U . . .
H11 H 0.5332 0.6564 0.3389 0.047 Uiso 1 1 calc R U . . .
C12 C 0.6384(6) 0.6630(12) 0.3147(6) 0.040(5) Uani 1 1 d D . . . .
H12A H 0.6679 0.6223 0.2892 0.061 Uiso 1 1 d R U . . .
H12B H 0.6430 0.7345 0.3043 0.061 Uiso 1 1 d R U . . .
H12C H 0.6545 0.6529 0.3567 0.061 Uiso 1 1 d R U . . .
C13 C 0.5261(7) 0.6754(12) 0.2473(6) 0.038(4) Uani 1 1 d D . . . .
H13A H 0.4764 0.6528 0.2410 0.058 Uiso 1 1 calc R U . . .
H13B H 0.5532 0.6539 0.2134 0.058 Uiso 1 1 calc R U . . .
H13C H 0.5274 0.7491 0.2505 0.058 Uiso 1 1 calc R U . . .
C14 C 0.4504(7) 0.4826(11) 0.3119(7) 0.025(3) Uani 1 1 d . . . . .
H14 H 0.4281 0.4940 0.2707 0.030 Uiso 1 1 calc R U . . .
C15 C 0.4281(8) 0.3795(11) 0.3293(8) 0.035(4) Uani 1 1 d . . . . .
H15A H 0.4666 0.3316 0.3227 0.053 Uiso 1 1 calc R U . . .
H15B H 0.3849 0.3599 0.3050 0.053 Uiso 1 1 calc R U . . .
H15C H 0.4180 0.3791 0.3717 0.053 Uiso 1 1 calc R U . . .
C16 C 0.4168(8) 0.5595(14) 0.3513(8) 0.043(5) Uani 1 1 d . . . . .
H16A H 0.3656 0.5455 0.3525 0.064 Uiso 1 1 calc R U . . .
H16B H 0.4236 0.6273 0.3350 0.064 Uiso 1 1 calc R U . . .
H16C H 0.4396 0.5556 0.3919 0.064 Uiso 1 1 calc R U . . .
C17 C 0.5780(8) 0.5157(11) 0.4276(6) 0.035(4) Uani 1 1 d . . . . .
H17A H 0.5350 0.4922 0.4460 0.052 Uiso 1 1 calc R U . . .
H17B H 0.5733 0.5877 0.4182 0.052 Uiso 1 1 calc R U . . .
H17C H 0.6199 0.5051 0.4554 0.052 Uiso 1 1 calc R U . . .
C18 C 0.6298(7) 0.3647(11) 0.3860(8) 0.033(4) Uani 1 1 d . . . . .
H18A H 0.6392 0.3309 0.3479 0.040 Uiso 1 1 calc R U . . .
H18B H 0.6766 0.3848 0.4055 0.040 Uiso 1 1 calc R U . . .
C19 C 0.5971(7) 0.2925(9) 0.4241(7) 0.025(3) Uani 1 1 d . . . . .
H19A H 0.5457 0.2852 0.4115 0.030 Uiso 1 1 calc R U . . .
H19B H 0.6009 0.3166 0.4660 0.030 Uiso 1 1 calc R U . . .
C20 C 0.6348(7) 0.1891(10) 0.4199(7) 0.023(3) Uani 1 1 d . U . . .
H20A H 0.6231 0.1597 0.3799 0.028 Uiso 1 1 calc R U . . .
H20B H 0.6873 0.1994 0.4244 0.028 Uiso 1 1 calc R U . . .
C21 C 0.6397(9) 0.1545(11) 0.5276(6) 0.037(4) Uani 1 1 d . . . . .
H21A H 0.6909 0.1704 0.5282 0.055 Uiso 1 1 calc R U . . .
H21B H 0.6318 0.1015 0.5570 0.055 Uiso 1 1 calc R U . . .
H21C H 0.6130 0.2152 0.5376 0.055 Uiso 1 1 calc R U . . .
C22 C 0.5426(7) 0.0012(11) 0.3811(7) 0.025(3) Uani 1 1 d . U . . .
H22 H 0.5724 0.0235 0.3481 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5133(8) -0.1023(10) 0.3648(7) 0.026(3) Uani 1 1 d . U . . .
H23A H 0.4810 -0.1243 0.3950 0.039 Uiso 1 1 calc R U . . .
H23B H 0.5530 -0.1503 0.3633 0.039 Uiso 1 1 calc R U . . .
H23C H 0.4870 -0.0993 0.3256 0.039 Uiso 1 1 calc R U . . .
C24 C 0.4795(7) 0.0804(11) 0.3852(6) 0.034(4) Uani 1 1 d . . . . .
H24A H 0.4555 0.0661 0.4219 0.051 Uiso 1 1 d R U . . .
H24B H 0.4985 0.1493 0.3868 0.051 Uiso 1 1 d R U . . .
H24C H 0.4452 0.0735 0.3506 0.051 Uiso 1 1 d R U . . .
C25 C 0.6843(7) -0.0599(12) 0.4230(6) 0.041(5) Uani 1 1 d D . . . .
H25 H 0.6858 -0.1327 0.4349 0.049 Uiso 1 1 calc R U . . .
C26 C 0.6928(9) -0.0536(13) 0.3558(6) 0.046(5) Uani 1 1 d D . . . .
H26A H 0.6956 0.0174 0.3438 0.068 Uiso 1 1 calc R U . . .
H26B H 0.6515 -0.0854 0.3342 0.068 Uiso 1 1 calc R U . . .
H26C H 0.7367 -0.0886 0.3461 0.068 Uiso 1 1 calc R U . . .
C27 C 0.7501(7) -0.0081(13) 0.4523(9) 0.053(6) Uani 1 1 d D . . . .
H27A H 0.7920 -0.0516 0.4490 0.080 Uiso 1 1 calc R U . . .
H27B H 0.7429 0.0044 0.4946 0.080 Uiso 1 1 calc R U . . .
H27C H 0.7579 0.0562 0.4320 0.080 Uiso 1 1 calc R U . . .
C28 C 0.5163(8) -0.0046(11) 0.6071(7) 0.025(3) Uani 1 1 d . U . . .
C29 C 0.5168(8) -0.1111(11) 0.6212(7) 0.028(3) Uani 1 1 d . U . . .
H29 H 0.5430 -0.1324 0.6567 0.034 Uiso 1 1 calc R U . . .
C30 C 0.4826(8) -0.1812(11) 0.5875(7) 0.029(3) Uani 1 1 d . U . . .
H30 H 0.4834 -0.2493 0.6009 0.034 Uiso 1 1 calc R U . . .
C31 C 0.4457(6) -0.1577(9) 0.5331(7) 0.033(4) Uani 1 1 d D . . . .
C32 C 0.4471(8) -0.0516(14) 0.5178(8) 0.041(5) Uani 1 1 d . . . . .
H32 H 0.4213 -0.0308 0.4820 0.049 Uiso 1 1 calc R U . . .
C33 C 0.4840(8) 0.0227(11) 0.5522(8) 0.030(3) Uani 1 1 d . U . . .
H33 H 0.4867 0.0901 0.5381 0.036 Uiso 1 1 calc R U . . .
C34 C 0.5578(11) 0.0643(14) 0.6512(8) 0.050(5) Uani 1 1 d . U . . .
H34A H 0.5706 0.1266 0.6309 0.074 Uiso 1 1 calc R U . . .
H34B H 0.6015 0.0300 0.6668 0.074 Uiso 1 1 calc R U . . .
H34C H 0.5281 0.0806 0.6844 0.074 Uiso 1 1 calc R U . . .
C35 C 0.4117(6) -0.2351(10) 0.4858(8) 0.046(5) Uani 1 1 d D . . . .
H35 H 0.4377 -0.2358 0.4482 0.055 Uiso 1 1 calc R U . . .
C36 C 0.4115(8) -0.3402(8) 0.5161(8) 0.056(5) Uani 1 1 d D U . . .
H36A H 0.3927 -0.3900 0.4867 0.084 Uiso 1 1 d R U . . .
H36B H 0.4619 -0.3552 0.5272 0.084 Uiso 1 1 d R U . . .
H36C H 0.3839 -0.3433 0.5518 0.084 Uiso 1 1 d R U . . .
C37 C 0.3328(6) -0.2013(11) 0.4745(10) 0.097(11) Uani 1 1 d D . . . .
H37A H 0.3096 -0.2425 0.4425 0.146 Uiso 1 1 calc R U . . .
H37B H 0.3312 -0.1301 0.4627 0.146 Uiso 1 1 calc R U . . .
H37C H 0.3076 -0.2100 0.5112 0.146 Uiso 1 1 calc R U . . .
C1S C 0.7648(7) 0.6712(5) 0.5068(3) 0.063(6) Uani 1 1 d D . . . .
H1SA H 0.7136 0.6903 0.5027 0.076 Uiso 1 1 calc R U . . .
H1SB H 0.7902 0.7207 0.5336 0.076 Uiso 1 1 calc R U . . .
Cl1S Cl 0.7737(4) 0.5491(5) 0.5380(4) 0.113(3) Uani 1 1 d D . . . .
Cl2S Cl 0.8010(4) 0.6733(8) 0.4362(3) 0.130(4) Uani 1 1 d D . . . .
C1T C 0.3863(7) 0.3774(7) 0.5816(4) 0.076(4) Uani 0.6 1 d D U P B 1
H1TA H 0.3380 0.4016 0.5679 0.091 Uiso 0.6 1 calc R U P B 1
H1TB H 0.4104 0.4313 0.6060 0.091 Uiso 0.6 1 calc R U P B 1
Cl1T Cl 0.3793(5) 0.2669(6) 0.6250(4) 0.084(3) Uani 0.6 1 d D U P B 1
Cl2T Cl 0.4360(5) 0.3500(9) 0.5196(3) 0.073(3) Uani 0.6 1 d D U P B 1
C1T' C 0.3952(9) 0.3789(6) 0.5822(3) 0.056(5) Uani 0.4 1 d D U P C 2
H1TC H 0.3433 0.3941 0.5796 0.067 Uiso 0.4 1 calc R U P C 2
H1TD H 0.4202 0.4326 0.6061 0.067 Uiso 0.4 1 calc R U P C 2
Cl1' Cl 0.4108(8) 0.2605(5) 0.6170(4) 0.056(3) Uani 0.4 1 d D U P C 2
Cl2' Cl 0.4271(7) 0.3747(11) 0.5101(3) 0.065(4) Uani 0.4 1 d D U P C 2
C1U C 0.2830(9) 0.6147(6) 0.6505(4) 0.100(4) Uani 0.8 1 d D U P D 1
H1UA H 0.3352 0.6053 0.6479 0.120 Uiso 0.8 1 calc R U P D 1
H1UB H 0.2580 0.5734 0.6188 0.120 Uiso 0.8 1 calc R U P D 1
Cl1U Cl 0.2577(5) 0.5747(8) 0.7211(3) 0.121(3) Uani 0.8 1 d D U P D 1
Cl2U Cl 0.2610(6) 0.7424(5) 0.6394(4) 0.111(3) Uani 0.8 1 d D U P D 1
C1X C 0.2690(5) 0.6331(9) 0.6312(4) 0.067(6) Uani 0.2 1 d D U P E 2
H1XA H 0.2998 0.6739 0.6061 0.080 Uiso 0.2 1 calc R U P E 2
H1XB H 0.2429 0.5833 0.6051 0.080 Uiso 0.2 1 calc R U P E 2
Cl1X Cl 0.3221(6) 0.5701(10) 0.6873(5) 0.074(6) Uani 0.2 1 d D U P E 2
Cl2X Cl 0.2078(5) 0.7120(9) 0.6649(7) 0.064(5) Uani 0.2 1 d D U P E 2
C1V C 0.3877(5) 0.8580(8) 0.7244(4) 0.070(5) Uani 0.7 1 d D U P F 1
H1VA H 0.4358 0.8778 0.7415 0.084 Uiso 0.7 1 calc R U P F 1
H1VB H 0.3922 0.7928 0.7034 0.084 Uiso 0.7 1 calc R U P F 1
Cl1V Cl 0.3288(3) 0.8444(6) 0.7825(3) 0.0463(18) Uani 0.7 1 d D U P F 1
Cl2V Cl 0.3548(4) 0.9505(6) 0.6737(3) 0.095(3) Uani 0.7 1 d D U P F 1
C1V" C 0.3895(5) 0.8699(7) 0.7398(5) 0.073(5) Uani 0.3 1 d D U P G 2
H1VC H 0.4355 0.8659 0.7641 0.088 Uiso 0.3 1 calc R U P G 2
H1VD H 0.3889 0.8159 0.7092 0.088 Uiso 0.3 1 calc R U P G 2
Cl1" Cl 0.3177(5) 0.8527(13) 0.7862(5) 0.073(5) Uani 0.3 1 d D U P G 2
Cl2" Cl 0.3818(9) 0.9883(6) 0.7046(6) 0.082(5) Uani 0.3 1 d D U P G 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C3 2.123(11) . ?
Ru1 C1' 2.144(8) . ?
Ru1 C6' 2.150(9) . ?
Ru1 C4 2.165(8) . ?
Ru1 C5' 2.182(11) . ?
Ru1 C2 2.215(13) . ?
Ru1 C4' 2.227(7) . ?
Ru1 C3' 2.241(9) . ?
Ru1 C2' 2.246(10) . ?
Ru1 C5 2.256(17) . ?
Ru1 P1 2.419(4) . ?
Ru1 C1 2.418(10) . ?
Ru2 C32 2.153(14) . ?
Ru2 C33 2.166(14) . ?
Ru2 C29 2.205(16) . ?
Ru2 C30 2.240(15) . ?
Ru2 C31 2.244(11) . ?
Ru2 C28 2.263(15) . ?
Ru2 P2 2.388(4) . ?
Ru2 Cl3 2.404(4) . ?
Ru2 Cl4 2.426(4) . ?
P1 N1 1.682(12) . ?
P1 C11 1.831(15) . ?
P1 C14 1.852(14) . ?
P2 N2 1.666(11) . ?
P2 C22 1.832(15) . ?
P2 C25 1.863(15) . ?
N1 C17 1.477(16) . ?
N1 C18 1.500(16) . ?
N2 C20 1.459(17) . ?
N2 C21 1.520(15) . ?
C1 C6 1.400(6) . ?
C1 C2 1.402(6) . ?
C1 C7 1.512(6) . ?
C2 C3 1.402(6) . ?
C3 C4 1.402(6) . ?
C4 C5 1.402(6) . ?
C4 C8 1.509(6) . ?
C5 C6 1.404(6) . ?
C8 C10 1.538(8) . ?
C8 C9 1.545(8) . ?
C1' C6' 1.400(6) . ?
C1' C2' 1.401(6) . ?
C1' C7' 1.511(6) . ?
C2' C3' 1.403(6) . ?
C3' C4' 1.401(6) . ?
C4' C5' 1.402(5) . ?
C4' C8' 1.508(6) . ?
C5' C6' 1.405(6) . ?
C8' C10' 1.538(6) . ?
C8' C9' 1.545(6) . ?
C11 C13 1.529(13) . ?
C11 C12 1.546(13) . ?
C14 C15 1.49(2) . ?
C14 C16 1.51(2) . ?
C18 C19 1.443(19) . ?
C19 C20 1.546(17) . ?
C22 C23 1.512(19) . ?
C22 C24 1.59(2) . ?
C25 C27 1.522(14) . ?
C25 C26 1.527(14) . ?
C28 C33 1.38(2) . ?
C28 C29 1.45(2) . ?
C28 C34 1.52(2) . ?
C29 C30 1.33(2) . ?
C30 C31 1.40(2) . ?
C31 C32 1.45(2) . ?
C31 C35 1.58(2) . ?
C32 C33 1.40(2) . ?
C35 C36 1.549(13) . ?
C35 C37 1.549(13) . ?
C1S Cl2S 1.760(7) . ?
C1S Cl1S 1.766(7) . ?
C1T Cl2T 1.758(7) . ?
C1T Cl1T 1.766(7) . ?
C1T' Cl2' 1.758(8) . ?
C1T' Cl1' 1.766(7) . ?
C1U Cl2U 1.755(7) . ?
C1U Cl1U 1.761(7) . ?
C1X Cl2X 1.756(8) . ?
C1X Cl1X 1.763(8) . ?
C1V Cl2V 1.757(7) . ?
C1V Cl1V 1.766(7) . ?
C1V" Cl2" 1.757(8) . ?
C1V" Cl1" 1.766(8) . ?

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
C1' Ru1 C6' 38.06(18) . . ?
C3 Ru1 C4 38.1(2) . . ?
C1' Ru1 C5' 69.2(3) . . ?
C6' Ru1 C5' 37.85(19) . . ?
C3 Ru1 C2 37.6(2) . . ?
C4 Ru1 C2 67.5(4) . . ?
C1' Ru1 C4' 80.6(3) . . ?
C6' Ru1 C4' 66.9(3) . . ?
C5' Ru1 C4' 37.05(17) . . ?
C1' Ru1 C3' 67.4(3) . . ?
C6' Ru1 C3' 78.2(3) . . ?
C5' Ru1 C3' 66.5(3) . . ?
C4' Ru1 C3' 36.56(17) . . ?
C1' Ru1 C2' 37.14(17) . . ?
C6' Ru1 C2' 66.1(3) . . ?
C5' Ru1 C2' 78.7(3) . . ?
C4' Ru1 C2' 66.0(3) . . ?
C3' Ru1 C2' 36.44(18) . . ?
C3 Ru1 C5 67.2(4) . . ?
C4 Ru1 C5 36.9(2) . . ?
C2 Ru1 C5 77.8(4) . . ?
C3 Ru1 P1 158.0(2) . . ?
C1' Ru1 P1 123.79(18) . . ?
C6' Ru1 P1 97.3(2) . . ?
C4 Ru1 P1 119.93(19) . . ?
C5' Ru1 P1 93.9(2) . . ?
C2 Ru1 P1 153.85(17) . . ?
C4' Ru1 P1 117.60(18) . . ?
C3' Ru1 P1 153.52(18) . . ?
C2' Ru1 P1 160.92(18) . . ?
C5 Ru1 P1 94.6(3) . . ?
C3 Ru1 C1 64.5(3) . . ?
C4 Ru1 C1 76.0(3) . . ?
C2 Ru1 C1 34.88(18) . . ?
C5 Ru1 C1 63.4(3) . . ?
P1 Ru1 C1 119.52(19) . . ?
C32 Ru2 C33 37.9(6) . . ?
C32 Ru2 C29 76.6(6) . . ?
C33 Ru2 C29 66.8(6) . . ?
C32 Ru2 C30 65.7(6) . . ?
C33 Ru2 C30 79.4(6) . . ?
C29 Ru2 C30 34.9(6) . . ?
C32 Ru2 C31 38.3(6) . . ?
C33 Ru2 C31 69.7(5) . . ?
C29 Ru2 C31 65.0(6) . . ?
C30 Ru2 C31 36.3(6) . . ?
C32 Ru2 C28 65.6(6) . . ?
C33 Ru2 C28 36.3(6) . . ?
C29 Ru2 C28 37.7(5) . . ?
C30 Ru2 C28 66.1(5) . . ?
C31 Ru2 C28 79.6(5) . . ?
C32 Ru2 P2 96.9(4) . . ?
C33 Ru2 P2 92.3(4) . . ?
C29 Ru2 P2 153.7(4) . . ?
C30 Ru2 P2 160.5(4) . . ?
C31 Ru2 P2 124.3(4) . . ?
C28 Ru2 P2 116.3(4) . . ?
C32 Ru2 Cl3 114.7(5) . . ?
C33 Ru2 Cl3 152.4(4) . . ?
C29 Ru2 Cl3 118.1(4) . . ?
C30 Ru2 Cl3 91.5(4) . . ?
C31 Ru2 Cl3 87.5(3) . . ?
C28 Ru2 Cl3 155.8(4) . . ?
P2 Ru2 Cl3 87.85(13) . . ?
C32 Ru2 Cl4 158.0(5) . . ?
C33 Ru2 Cl4 121.0(4) . . ?
C29 Ru2 Cl4 88.5(4) . . ?
C30 Ru2 Cl4 110.3(4) . . ?
C31 Ru2 Cl4 145.8(4) . . ?
C28 Ru2 Cl4 92.7(4) . . ?
P2 Ru2 Cl4 89.17(13) . . ?
Cl3 Ru2 Cl4 86.62(13) . . ?
N1 P1 C11 102.5(6) . . ?
N1 P1 C14 106.3(7) . . ?
C11 P1 C14 100.3(6) . . ?
N1 P1 Ru1 113.8(4) . . ?
C11 P1 Ru1 117.0(5) . . ?
C14 P1 Ru1 115.2(5) . . ?
N2 P2 C22 102.3(6) . . ?
N2 P2 C25 110.0(6) . . ?
C22 P2 C25 102.1(7) . . ?
N2 P2 Ru2 113.1(4) . . ?
C22 P2 Ru2 116.5(5) . . ?
C25 P2 Ru2 112.0(5) . . ?
C17 N1 C18 109.6(11) . . ?
C17 N1 P1 123.5(9) . . ?
C18 N1 P1 126.7(10) . . ?
C20 N2 C21 110.6(10) . . ?
C20 N2 P2 121.3(9) . . ?
C21 N2 P2 122.2(9) . . ?
C6 C1 C2 117.8(6) . . ?
C6 C1 C7 111.8(9) . . ?
C2 C1 C7 127.8(7) . . ?
C6 C1 Ru1 73.3(6) . . ?
C2 C1 Ru1 64.6(6) . . ?
C7 C1 Ru1 149.9(18) . . ?
C1 C2 C3 120.5(7) . . ?
C1 C2 Ru1 80.5(6) . . ?
C3 C2 Ru1 67.6(6) . . ?
C4 C3 C2 120.5(6) . . ?
C4 C3 Ru1 72.6(5) . . ?
C2 C3 Ru1 74.7(7) . . ?
C5 C4 C3 119.7(6) . . ?
C5 C4 C8 119.6(6) . . ?
C3 C4 C8 119.9(5) . . ?
C5 C4 Ru1 75.1(8) . . ?
C3 C4 Ru1 69.3(5) . . ?
C8 C4 Ru1 136.5(6) . . ?
C4 C5 C6 118.4(6) . . ?
C4 C5 Ru1 68.0(7) . . ?
C6 C5 Ru1 79.0(8) . . ?
C1 C6 C5 122.5(7) . . ?
C1 C6 Ru1 73.1(6) . . ?
C5 C6 Ru1 66.2(8) . . ?
C4 C8 C10 110.2(7) . . ?
C4 C8 C9 109.9(7) . . ?
C10 C8 C9 108.4(7) . . ?
C6' C1' C2' 117.8(6) . . ?
C6' C1' C7' 112.3(6) . . ?
C2' C1' C7' 128.4(6) . . ?
C6' C1' Ru1 71.2(5) . . ?
C2' C1' Ru1 75.4(5) . . ?
C7' C1' Ru1 134.6(8) . . ?
C1' C2' C3' 120.4(6) . . ?
C1' C2' Ru1 67.5(5) . . ?
C3' C2' Ru1 71.6(5) . . ?
C4' C3' C2' 120.5(6) . . ?
C4' C3' Ru1 71.2(4) . . ?
C2' C3' Ru1 72.0(5) . . ?
C3' C4' C5' 119.8(5) . . ?
C3' C4' C8' 120.2(5) . . ?
C5' C4' C8' 119.8(5) . . ?
C3' C4' Ru1 72.3(5) . . ?
C5' C4' Ru1 69.7(5) . . ?
C8' C4' Ru1 135.0(5) . . ?
C4' C5' C6' 118.7(6) . . ?
C4' C5' Ru1 73.2(5) . . ?
C6' C5' Ru1 69.8(5) . . ?
C1' C6' C5' 122.3(6) . . ?
C1' C6' Ru1 70.7(5) . . ?
C5' C6' Ru1 72.3(6) . . ?
C4' C8' C10' 110.1(7) . . ?
C4' C8' C9' 110.0(6) . . ?
C10' C8' C9' 108.5(7) . . ?
C13 C11 C12 109.6(10) . . ?
C13 C11 P1 111.0(10) . . ?
C12 C11 P1 113.6(10) . . ?
C15 C14 C16 109.4(13) . . ?
C15 C14 P1 112.1(10) . . ?
C16 C14 P1 117.2(11) . . ?
C19 C18 N1 115.6(12) . . ?
C18 C19 C20 109.8(12) . . ?
N2 C20 C19 112.6(11) . . ?
C23 C22 C24 110.7(11) . . ?
C23 C22 P2 111.0(10) . . ?
C24 C22 P2 112.4(10) . . ?
C27 C25 C26 105.5(13) . . ?
C27 C25 P2 110.7(11) . . ?
C26 C25 P2 116.0(10) . . ?
C33 C28 C29 116.5(14) . . ?
C33 C28 C34 126.7(14) . . ?
C29 C28 C34 116.5(14) . . ?
C33 C28 Ru2 68.0(9) . . ?
C29 C28 Ru2 68.9(8) . . ?
C34 C28 Ru2 128.8(11) . . ?
C30 C29 C28 124.0(15) . . ?
C30 C29 Ru2 74.0(10) . . ?
C28 C29 Ru2 73.3(9) . . ?
C29 C30 C31 122.1(14) . . ?
C29 C30 Ru2 71.1(9) . . ?
C31 C30 Ru2 72.0(8) . . ?
C30 C31 C32 114.1(12) . . ?
C30 C31 C35 126.6(11) . . ?
C32 C31 C35 119.0(13) . . ?
C30 C31 Ru2 71.7(7) . . ?
C32 C31 Ru2 67.4(7) . . ?
C35 C31 Ru2 123.9(9) . . ?
C33 C32 C31 124.5(14) . . ?
C33 C32 Ru2 71.6(8) . . ?
C31 C32 Ru2 74.3(8) . . ?
C28 C33 C32 118.4(14) . . ?
C28 C33 Ru2 75.7(9) . . ?
C32 C33 Ru2 70.5(9) . . ?
C36 C35 C37 107.6(10) . . ?
C36 C35 C31 107.6(12) . . ?
C37 C35 C31 105.2(11) . . ?
Cl2S C1S Cl1S 109.7(5) . . ?
Cl2T C1T Cl1T 108.9(6) . . ?
Cl2' C1T' Cl1' 108.6(7) . . ?
Cl2U C1U Cl1U 110.0(6) . . ?
Cl2X C1X Cl1X 109.2(7) . . ?
Cl2V C1V Cl1V 109.7(5) . . ?
Cl2" C1V" Cl1" 109.6(7) . . ?

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
C11 P1 N1 C17 41.5(13) . . . . ?
C14 P1 N1 C17 -63.3(13) . . . . ?
Ru1 P1 N1 C17 168.8(10) . . . . ?
C11 P1 N1 C18 -144.0(12) . . . . ?
C14 P1 N1 C18 111.2(12) . . . . ?
Ru1 P1 N1 C18 -16.7(13) . . . . ?
C22 P2 N2 C20 -48.8(11) . . . . ?
C25 P2 N2 C20 59.1(11) . . . . ?
Ru2 P2 N2 C20 -174.9(8) . . . . ?
C22 P2 N2 C21 160.8(11) . . . . ?
C25 P2 N2 C21 -91.2(12) . . . . ?
Ru2 P2 N2 C21 34.8(12) . . . . ?
C6 C1 C2 C3 -4(2) . . . . ?
C7 C1 C2 C3 156(2) . . . . ?
Ru1 C1 C2 C3 -56.8(12) . . . . ?
C6 C1 C2 Ru1 52.4(12) . . . . ?
C7 C1 C2 Ru1 -148(2) . . . . ?
C1 C2 C3 C4 5(2) . . . . ?
Ru1 C2 C3 C4 -58.6(10) . . . . ?
C1 C2 C3 Ru1 63.2(13) . . . . ?
C2 C3 C4 C5 1.9(19) . . . . ?
Ru1 C3 C4 C5 -57.8(11) . . . . ?
C2 C3 C4 C8 -167.7(11) . . . . ?
Ru1 C3 C4 C8 132.7(8) . . . . ?
C2 C3 C4 Ru1 59.7(11) . . . . ?
C3 C4 C5 C6 -8(2) . . . . ?
C8 C4 C5 C6 161.4(12) . . . . ?
Ru1 C4 C5 C6 -63.2(14) . . . . ?
C3 C4 C5 Ru1 55.0(10) . . . . ?
C8 C4 C5 Ru1 -135.4(8) . . . . ?
C2 C1 C6 C5 -2(2) . . . . ?
C7 C1 C6 C5 -165(2) . . . . ?
Ru1 C1 C6 C5 46.2(13) . . . . ?
C2 C1 C6 Ru1 -48.4(12) . . . . ?
C7 C1 C6 Ru1 148.5(19) . . . . ?
C4 C5 C6 C1 9(2) . . . . ?
Ru1 C5 C6 C1 -48.9(13) . . . . ?
C4 C5 C6 Ru1 57.5(12) . . . . ?
C5 C4 C8 C10 4.4(14) . . . . ?
C3 C4 C8 C10 174.0(10) . . . . ?
Ru1 C4 C8 C10 -95.2(9) . . . . ?
C5 C4 C8 C9 -114.9(12) . . . . ?
C3 C4 C8 C9 54.7(12) . . . . ?
Ru1 C4 C8 C9 145.5(7) . . . . ?
C6' C1' C2' C3' 8.9(16) . . . . ?
C7' C1' C2' C3' 173.8(12) . . . . ?
Ru1 C1' C2' C3' -50.2(10) . . . . ?
C6' C1' C2' Ru1 59.1(8) . . . . ?
C7' C1' C2' Ru1 -136.0(13) . . . . ?
C1' C2' C3' C4' -5.7(16) . . . . ?
Ru1 C2' C3' C4' -54.1(9) . . . . ?
C1' C2' C3' Ru1 48.4(10) . . . . ?
C2' C3' C4' C5' 1.5(15) . . . . ?
Ru1 C3' C4' C5' -53.0(8) . . . . ?
C2' C3' C4' C8' -173.2(9) . . . . ?
Ru1 C3' C4' C8' 132.3(7) . . . . ?
C2' C3' C4' Ru1 54.5(9) . . . . ?
C3' C4' C5' C6' -0.6(15) . . . . ?
C8' C4' C5' C6' 174.0(9) . . . . ?
Ru1 C4' C5' C6' -54.8(9) . . . . ?
C3' C4' C5' Ru1 54.2(8) . . . . ?
C8' C4' C5' Ru1 -131.1(7) . . . . ?
C2' C1' C6' C5' -8.2(16) . . . . ?
C7' C1' C6' C5' -175.5(11) . . . . ?
Ru1 C1' C6' C5' 53.1(9) . . . . ?
C2' C1' C6' Ru1 -61.3(9) . . . . ?
C7' C1' C6' Ru1 131.4(10) . . . . ?
C4' C5' C6' C1' 4.1(16) . . . . ?
Ru1 C5' C6' C1' -52.4(9) . . . . ?
C4' C5' C6' Ru1 56.5(9) . . . . ?
C3' C4' C8' C10' 115.7(11) . . . . ?
C5' C4' C8' C10' -58.9(12) . . . . ?
Ru1 C4' C8' C10' -149.4(8) . . . . ?
C3' C4' C8' C9' -3.8(12) . . . . ?
C5' C4' C8' C9' -178.4(10) . . . . ?
Ru1 C4' C8' C9' 91.1(9) . . . . ?
N1 P1 C11 C13 -179.0(9) . . . . ?
C14 P1 C11 C13 -69.5(11) . . . . ?
Ru1 P1 C11 C13 55.8(10) . . . . ?
N1 P1 C11 C12 56.9(11) . . . . ?
C14 P1 C11 C12 166.4(10) . . . . ?
Ru1 P1 C11 C12 -68.3(10) . . . . ?
N1 P1 C14 C15 -58.4(13) . . . . ?
C11 P1 C14 C15 -164.7(12) . . . . ?
Ru1 P1 C14 C15 68.7(13) . . . . ?
N1 P1 C14 C16 69.4(13) . . . . ?
C11 P1 C14 C16 -37.0(14) . . . . ?
Ru1 P1 C14 C16 -163.5(11) . . . . ?
C17 N1 C18 C19 63.5(17) . . . . ?
P1 N1 C18 C19 -111.6(15) . . . . ?
N1 C18 C19 C20 163.6(12) . . . . ?
C21 N2 C20 C19 -66.0(14) . . . . ?
P2 N2 C20 C19 140.6(10) . . . . ?
C18 C19 C20 N2 169.0(12) . . . . ?
N2 P2 C22 C23 -170.0(11) . . . . ?
C25 P2 C22 C23 76.2(12) . . . . ?
Ru2 P2 C22 C23 -46.1(12) . . . . ?
N2 P2 C22 C24 -45.3(10) . . . . ?
C25 P2 C22 C24 -159.2(9) . . . . ?
Ru2 P2 C22 C24 78.5(9) . . . . ?
N2 P2 C25 C27 31.4(12) . . . . ?
C22 P2 C25 C27 139.5(11) . . . . ?
Ru2 P2 C25 C27 -95.2(11) . . . . ?
N2 P2 C25 C26 -88.7(12) . . . . ?
C22 P2 C25 C26 19.4(13) . . . . ?
Ru2 P2 C25 C26 144.7(10) . . . . ?
C33 C28 C29 C30 -7(2) . . . . ?
C34 C28 C29 C30 179.4(16) . . . . ?
Ru2 C28 C29 C30 -56.7(15) . . . . ?
C33 C28 C29 Ru2 50.2(12) . . . . ?
C34 C28 C29 Ru2 -123.9(14) . . . . ?
C28 C29 C30 C31 3(2) . . . . ?
Ru2 C29 C30 C31 -53.1(14) . . . . ?
C28 C29 C30 Ru2 56.4(14) . . . . ?
C29 C30 C31 C32 -1(2) . . . . ?
Ru2 C30 C31 C32 -53.8(11) . . . . ?
C29 C30 C31 C35 171.8(14) . . . . ?
Ru2 C30 C31 C35 119.1(13) . . . . ?
C29 C30 C31 Ru2 52.7(14) . . . . ?
C30 C31 C32 C33 2(2) . . . . ?
C35 C31 C32 C33 -171.1(14) . . . . ?
Ru2 C31 C32 C33 -53.6(14) . . . . ?
C30 C31 C32 Ru2 56.0(11) . . . . ?
C35 C31 C32 Ru2 -117.4(11) . . . . ?
C29 C28 C33 C32 7(2) . . . . ?
C34 C28 C33 C32 -179.2(15) . . . . ?
Ru2 C28 C33 C32 58.0(13) . . . . ?
C29 C28 C33 Ru2 -50.6(12) . . . . ?
C34 C28 C33 Ru2 122.7(16) . . . . ?
C31 C32 C33 C28 -6(2) . . . . ?
Ru2 C32 C33 C28 -60.7(13) . . . . ?
C31 C32 C33 Ru2 54.8(14) . . . . ?
C30 C31 C35 C36 12.3(18) . . . . ?
C32 C31 C35 C36 -175.1(12) . . . . ?
Ru2 C31 C35 C36 103.9(12) . . . . ?
C30 C31 C35 C37 126.8(15) . . . . ?
C32 C31 C35 C37 -60.6(16) . . . . ?
Ru2 C31 C35 C37 -141.6(11) . . . . ?

_refine_diff_density_max         1.283
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.213
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LB327b-05
_database_code_depnum_ccdc_archive 'CCDC 1552924'
_audit_update_record             
;
2017-05-29 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H32 Cl2 N P Ru'
_chemical_formula_weight         549.45
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_H-M   P2(1)/c
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.0527(5)
_cell_length_b                   14.1683(7)
_cell_length_c                   17.5477(9)
_cell_angle_alpha                90
_cell_angle_beta                 100.4265(14)
_cell_angle_gamma                90
_cell_volume                     2458.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9274
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      68.27

_exptl_crystal_description       Block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_F_000             1128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    7.860
_shelx_estimated_absorpt_T_min   0.385
_shelx_estimated_absorpt_T_max   0.507
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.39
_exptl_absorpt_correction_T_max  0.507
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX'
_diffrn_source_power             50
_diffrn_source_current           0.65
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            4276
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.037
_diffrn_reflns_theta_max         68.287
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             4276
_reflns_number_gt                4079
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0585P)²+0.6340P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4276
_refine_ls_number_parameters     280
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0948
_refine_ls_wR_factor_gt          0.0933
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.42186(2) 0.58695(2) 0.34938(2) 0.01683(11) Uani 1 1 d . . . . .
Cl1 Cl 0.21352(7) 0.52820(5) 0.38004(4) 0.02844(18) Uani 1 1 d . . . . .
Cl2 Cl 0.47852(8) 0.42532(4) 0.32720(4) 0.02940(18) Uani 1 1 d . . . . .
P1 P 0.31785(7) 0.58678(4) 0.21938(4) 0.01631(17) Uani 1 1 d . . . . .
N1 N 0.2331(2) 0.48852(16) 0.19328(13) 0.0242(5) Uani 1 1 d D . . . .
H1N H 0.233(3) 0.4488(19) 0.2326(13) 0.029 Uiso 1 1 d D U . . .
C1 C 0.4035(3) 0.72057(19) 0.41041(16) 0.0268(6) Uani 1 1 d . . . . .
C2 C 0.4678(3) 0.73675(18) 0.34577(16) 0.0249(6) Uani 1 1 d . U . . .
H2 H 0.4319 0.7829 0.3083 0.030 Uiso 1 1 calc R U . . .
C3 C 0.5849(3) 0.68516(19) 0.33618(15) 0.0243(6) Uani 1 1 d . . . . .
H3 H 0.6267 0.6979 0.2929 0.029 Uiso 1 1 calc R U . . .
C4 C 0.6397(3) 0.6157(2) 0.38984(16) 0.0254(6) Uani 1 1 d . . . . .
C5 C 0.5804(3) 0.6027(2) 0.45770(16) 0.0258(6) Uani 1 1 d . . . . .
H5 H 0.6196 0.5591 0.4964 0.031 Uiso 1 1 calc R U . . .
C6 C 0.4660(3) 0.65349(19) 0.46720(15) 0.0269(6) Uani 1 1 d . . . . .
H6 H 0.4282 0.6435 0.5124 0.032 Uiso 1 1 calc R U . . .
C7 C 0.2778(4) 0.7712(2) 0.42080(18) 0.0381(7) Uani 1 1 d . . . . .
H7A H 0.2996 0.8172 0.4629 0.057 Uiso 1 1 calc R U . . .
H7B H 0.2119 0.7257 0.4336 0.057 Uiso 1 1 calc R U . . .
H7C H 0.2394 0.8041 0.3727 0.057 Uiso 1 1 calc R U . . .
C8 C 0.7601(3) 0.5564(2) 0.38051(18) 0.0319(7) Uani 1 1 d . . . . .
H8 H 0.7429 0.4906 0.3969 0.038 Uiso 1 1 calc R U . . .
C9 C 0.7878(4) 0.5517(3) 0.29839(19) 0.0462(9) Uani 1 1 d . . . . .
H9A H 0.8627 0.5080 0.2965 0.069 Uiso 1 1 calc R U . . .
H9B H 0.8120 0.6147 0.2822 0.069 Uiso 1 1 calc R U . . .
H9C H 0.7066 0.5295 0.2634 0.069 Uiso 1 1 calc R U . . .
C10 C 0.8843(3) 0.5944(2) 0.4369(2) 0.0377(8) Uani 1 1 d . . . . .
H10A H 0.9624 0.5536 0.4352 0.057 Uiso 1 1 calc R U . . .
H10B H 0.8649 0.5951 0.4897 0.057 Uiso 1 1 calc R U . . .
H10C H 0.9045 0.6587 0.4218 0.057 Uiso 1 1 calc R U . . .
C11 C 0.1423(3) 0.47077(19) 0.11916(16) 0.0271(6) Uani 1 1 d . . . . .
H11 H 0.1706 0.5126 0.0790 0.033 Uiso 1 1 calc R U . . .
C12 C 0.1579(3) 0.3685(2) 0.09514(17) 0.0321(7) Uani 1 1 d . . . . .
H12A H 0.0987 0.3567 0.0452 0.048 Uiso 1 1 calc R U . . .
H12B H 0.1329 0.3263 0.1345 0.048 Uiso 1 1 calc R U . . .
H12C H 0.2521 0.3568 0.0903 0.048 Uiso 1 1 calc R U . . .
C13 C -0.0047(3) 0.4923(2) 0.1226(2) 0.0415(8) Uani 1 1 d . . . . .
H13A H -0.0615 0.4770 0.0727 0.062 Uiso 1 1 calc R U . . .
H13B H -0.0141 0.5594 0.1339 0.062 Uiso 1 1 calc R U . . .
H13C H -0.0331 0.4543 0.1635 0.062 Uiso 1 1 calc R U . . .
C14 C 0.1979(3) 0.68242(18) 0.18937(15) 0.0201(5) Uani 1 1 d . . . . .
C15 C 0.1020(3) 0.7010(2) 0.23589(16) 0.0278(6) Uani 1 1 d . . . . .
H15 H 0.1060 0.6684 0.2835 0.033 Uiso 1 1 calc R U . . .
C16 C 0.0015(3) 0.7667(2) 0.21277(19) 0.0361(7) Uani 1 1 d . . . . .
H16 H -0.0643 0.7782 0.2443 0.043 Uiso 1 1 calc R U . . .
C17 C -0.0047(3) 0.8161(2) 0.14430(19) 0.0361(7) Uani 1 1 d . . . . .
H17 H -0.0739 0.8615 0.1289 0.043 Uiso 1 1 calc R U . . .
C18 C 0.0903(3) 0.7989(2) 0.0988(2) 0.0378(8) Uani 1 1 d . . . . .
H18 H 0.0876 0.8332 0.0521 0.045 Uiso 1 1 calc R U . . .
C19 C 0.1904(3) 0.7314(2) 0.12079(17) 0.0287(6) Uani 1 1 d . . . . .
H19 H 0.2543 0.7190 0.0882 0.034 Uiso 1 1 calc R U . . .
C20 C 0.4425(3) 0.59773(18) 0.15664(15) 0.0204(6) Uani 1 1 d . . . . .
C21 C 0.4925(3) 0.5172(2) 0.12650(17) 0.0311(7) Uani 1 1 d . U . . .
H21 H 0.4541 0.4572 0.1334 0.037 Uiso 1 1 calc R U . . .
C22 C 0.6000(4) 0.5249(3) 0.08584(19) 0.0442(9) Uani 1 1 d . . . . .
H22 H 0.6319 0.4701 0.0636 0.053 Uiso 1 1 calc R U . . .
C23 C 0.6598(3) 0.6109(3) 0.07786(19) 0.0425(9) Uani 1 1 d . . . . .
H23 H 0.7347 0.6148 0.0518 0.051 Uiso 1 1 calc R U . . .
C24 C 0.6110(3) 0.6916(2) 0.10769(17) 0.0322(7) Uani 1 1 d . . . . .
H24 H 0.6507 0.7512 0.1012 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5033(3) 0.6849(2) 0.14719(15) 0.0228(6) Uani 1 1 d . . . . .
H25 H 0.4705 0.7402 0.1681 0.027 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C2 2.176(2) . ?
Ru1 C3 2.194(3) . ?
Ru1 C1 2.199(3) . ?
Ru1 C4 2.214(3) . ?
Ru1 C6 2.242(3) . ?
Ru1 C5 2.260(3) . ?
Ru1 P1 2.3311(7) . ?
Ru1 Cl1 2.4034(7) . ?
Ru1 Cl2 2.4084(7) . ?
P1 N1 1.653(2) . ?
P1 C20 1.818(3) . ?
P1 C14 1.827(3) . ?
N1 C11 1.469(3) . ?
C1 C2 1.422(4) . ?
C1 C6 1.437(4) . ?
C1 C7 1.493(5) . ?
C2 C3 1.422(4) . ?
C3 C4 1.404(4) . ?
C4 C5 1.437(4) . ?
C4 C8 1.507(4) . ?
C5 C6 1.392(5) . ?
C8 C9 1.518(5) . ?
C8 C10 1.543(4) . ?
C11 C13 1.521(5) . ?
C11 C12 1.525(4) . ?
C14 C19 1.380(4) . ?
C14 C15 1.396(4) . ?
C15 C16 1.380(4) . ?
C16 C17 1.382(5) . ?
C17 C18 1.372(5) . ?
C18 C19 1.391(4) . ?
C20 C21 1.390(4) . ?
C20 C25 1.401(4) . ?
C21 C22 1.402(5) . ?
C22 C23 1.377(6) . ?
C23 C24 1.384(5) . ?
C24 C25 1.390(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
C2 Ru1 C3 37.96(11) . . ?
C2 Ru1 C1 37.94(11) . . ?
C3 Ru1 C1 68.64(11) . . ?
C2 Ru1 C4 68.10(11) . . ?
C3 Ru1 C4 37.13(10) . . ?
C1 Ru1 C4 81.43(11) . . ?
C2 Ru1 C6 66.98(10) . . ?
C3 Ru1 C6 78.68(10) . . ?
C1 Ru1 C6 37.73(10) . . ?
C4 Ru1 C6 66.91(11) . . ?
C2 Ru1 C5 78.86(10) . . ?
C3 Ru1 C5 66.38(10) . . ?
C1 Ru1 C5 67.29(11) . . ?
C4 Ru1 C5 37.44(11) . . ?
C6 Ru1 C5 36.01(11) . . ?
C2 Ru1 P1 91.86(7) . . ?
C3 Ru1 P1 96.24(7) . . ?
C1 Ru1 P1 114.52(8) . . ?
C4 Ru1 P1 123.81(7) . . ?
C6 Ru1 P1 151.83(8) . . ?
C5 Ru1 P1 161.16(8) . . ?
C2 Ru1 Cl1 122.86(9) . . ?
C3 Ru1 Cl1 160.25(8) . . ?
C1 Ru1 Cl1 92.04(8) . . ?
C4 Ru1 Cl1 147.48(7) . . ?
C6 Ru1 Cl1 88.52(8) . . ?
C5 Ru1 Cl1 110.88(8) . . ?
P1 Ru1 Cl1 87.94(2) . . ?
C2 Ru1 Cl2 149.91(9) . . ?
C3 Ru1 Cl2 112.51(8) . . ?
C1 Ru1 Cl2 160.12(8) . . ?
C4 Ru1 Cl2 88.72(8) . . ?
C6 Ru1 Cl2 122.39(8) . . ?
C5 Ru1 Cl2 94.51(8) . . ?
P1 Ru1 Cl2 85.31(2) . . ?
Cl1 Ru1 Cl2 87.02(3) . . ?
N1 P1 C20 106.33(12) . . ?
N1 P1 C14 105.34(12) . . ?
C20 P1 C14 104.69(12) . . ?
N1 P1 Ru1 112.91(8) . . ?
C20 P1 Ru1 110.86(9) . . ?
C14 P1 Ru1 115.92(9) . . ?
C11 N1 P1 126.58(18) . . ?
C2 C1 C6 117.0(3) . . ?
C2 C1 C7 122.5(3) . . ?
C6 C1 C7 120.5(3) . . ?
C2 C1 Ru1 70.12(15) . . ?
C6 C1 Ru1 72.76(16) . . ?
C7 C1 Ru1 128.4(2) . . ?
C3 C2 C1 121.2(2) . . ?
C3 C2 Ru1 71.73(14) . . ?
C1 C2 Ru1 71.94(15) . . ?
C4 C3 C2 120.9(3) . . ?
C4 C3 Ru1 72.20(14) . . ?
C2 C3 Ru1 70.30(15) . . ?
C3 C4 C5 118.3(3) . . ?
C3 C4 C8 122.9(3) . . ?
C5 C4 C8 118.7(2) . . ?
C3 C4 Ru1 70.67(15) . . ?
C5 C4 Ru1 73.00(15) . . ?
C8 C4 Ru1 129.05(19) . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 Ru1 71.31(15) . . ?
C4 C5 Ru1 69.56(14) . . ?
C5 C6 C1 121.7(3) . . ?
C5 C6 Ru1 72.67(16) . . ?
C1 C6 Ru1 69.51(15) . . ?
C4 C8 C9 114.6(2) . . ?
C4 C8 C10 107.9(3) . . ?
C9 C8 C10 111.0(3) . . ?
N1 C11 C13 112.5(3) . . ?
N1 C11 C12 109.2(2) . . ?
C13 C11 C12 110.5(2) . . ?
C19 C14 C15 118.8(2) . . ?
C19 C14 P1 123.6(2) . . ?
C15 C14 P1 117.4(2) . . ?
C16 C15 C14 120.1(3) . . ?
C15 C16 C17 120.9(3) . . ?
C18 C17 C16 119.2(3) . . ?
C17 C18 C19 120.4(3) . . ?
C14 C19 C18 120.6(3) . . ?
C21 C20 C25 118.9(3) . . ?
C21 C20 P1 119.8(2) . . ?
C25 C20 P1 120.7(2) . . ?
C20 C21 C22 119.6(3) . . ?
C23 C22 C21 120.7(3) . . ?
C22 C23 C24 120.1(3) . . ?
C23 C24 C25 119.5(3) . . ?
C24 C25 C20 121.0(3) . . ?

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
C20 P1 N1 C11 -66.8(3) . . . . ?
C14 P1 N1 C11 43.9(3) . . . . ?
Ru1 P1 N1 C11 171.4(2) . . . . ?
C6 C1 C2 C3 3.0(4) . . . . ?
C7 C1 C2 C3 -177.9(2) . . . . ?
Ru1 C1 C2 C3 -54.4(2) . . . . ?
C6 C1 C2 Ru1 57.4(2) . . . . ?
C7 C1 C2 Ru1 -123.5(3) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
Ru1 C2 C3 C4 -53.6(2) . . . . ?
C1 C2 C3 Ru1 54.5(2) . . . . ?
C2 C3 C4 C5 -4.5(4) . . . . ?
Ru1 C3 C4 C5 -57.2(2) . . . . ?
C2 C3 C4 C8 177.4(2) . . . . ?
Ru1 C3 C4 C8 124.6(2) . . . . ?
C2 C3 C4 Ru1 52.8(2) . . . . ?
C3 C4 C5 C6 4.2(4) . . . . ?
C8 C4 C5 C6 -177.6(2) . . . . ?
Ru1 C4 C5 C6 -51.9(2) . . . . ?
C3 C4 C5 Ru1 56.1(2) . . . . ?
C8 C4 C5 Ru1 -125.7(2) . . . . ?
C4 C5 C6 C1 -0.3(4) . . . . ?
Ru1 C5 C6 C1 -51.4(2) . . . . ?
C4 C5 C6 Ru1 51.1(2) . . . . ?
C2 C1 C6 C5 -3.3(4) . . . . ?
C7 C1 C6 C5 177.7(2) . . . . ?
Ru1 C1 C6 C5 52.8(2) . . . . ?
C2 C1 C6 Ru1 -56.1(2) . . . . ?
C7 C1 C6 Ru1 124.9(3) . . . . ?
C3 C4 C8 C9 -20.3(4) . . . . ?
C5 C4 C8 C9 161.5(3) . . . . ?
Ru1 C4 C8 C9 70.6(4) . . . . ?
C3 C4 C8 C10 103.9(3) . . . . ?
C5 C4 C8 C10 -74.3(3) . . . . ?
Ru1 C4 C8 C10 -165.1(2) . . . . ?
P1 N1 C11 C13 -93.7(3) . . . . ?
P1 N1 C11 C12 143.2(2) . . . . ?
N1 P1 C14 C19 -96.6(3) . . . . ?
C20 P1 C14 C19 15.4(3) . . . . ?
Ru1 P1 C14 C19 137.8(2) . . . . ?
N1 P1 C14 C15 78.1(2) . . . . ?
C20 P1 C14 C15 -170.0(2) . . . . ?
Ru1 P1 C14 C15 -47.5(2) . . . . ?
C19 C14 C15 C16 0.6(4) . . . . ?
P1 C14 C15 C16 -174.4(2) . . . . ?
C14 C15 C16 C17 -1.1(5) . . . . ?
C15 C16 C17 C18 0.3(5) . . . . ?
C16 C17 C18 C19 1.0(5) . . . . ?
C15 C14 C19 C18 0.7(4) . . . . ?
P1 C14 C19 C18 175.3(3) . . . . ?
C17 C18 C19 C14 -1.5(5) . . . . ?
N1 P1 C20 C21 -28.3(2) . . . . ?
C14 P1 C20 C21 -139.5(2) . . . . ?
Ru1 P1 C20 C21 94.8(2) . . . . ?
N1 P1 C20 C25 160.9(2) . . . . ?
C14 P1 C20 C25 49.7(2) . . . . ?
Ru1 P1 C20 C25 -76.0(2) . . . . ?
C25 C20 C21 C22 -1.5(4) . . . . ?
P1 C20 C21 C22 -172.4(2) . . . . ?
C20 C21 C22 C23 2.4(4) . . . . ?
C21 C22 C23 C24 -2.3(5) . . . . ?
C22 C23 C24 C25 1.4(5) . . . . ?
C23 C24 C25 C20 -0.6(4) . . . . ?
C21 C20 C25 C24 0.7(4) . . . . ?
P1 C20 C25 C24 171.5(2) . . . . ?

_refine_diff_density_max         0.931
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.100
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LB352_P31
_database_code_depnum_ccdc_archive 'CCDC 1552922'
_audit_update_record             
;
2017-05-29 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H68 Cl8 N2 P2 Ru2'
_chemical_formula_weight         1292.78
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_space_group_IT_number           144
_symmetry_space_group_name_H-M   P3(1)
_space_group_name_Hall           'P 31'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'

_cell_length_a                   13.5855(6)
_cell_length_b                   13.5855(6)
_cell_length_c                   26.1826(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     4185.0(4)
_cell_formula_units_Z            3
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9985
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_F_000             1980
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.020
_shelx_estimated_absorpt_T_min   0.750
_shelx_estimated_absorpt_T_max   0.905
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.696
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            39873
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         0.778
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10226
_reflns_number_gt                10120
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 4-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0220P)²+1.7007P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_chemical_absolute_configuration ad
_refine_ls_abs_structure_Flack   ?
_refine_ls_number_reflns         10226
_refine_ls_number_parameters     634
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0245
_refine_ls_wR_factor_ref         0.0584
_refine_ls_wR_factor_gt          0.0578
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.17412(4) -0.00944(4) 0.66407(2) 0.01765(8) Uani 1 1 d . . . . .
Ru2 Ru 0.34127(4) -0.12775(3) 0.33662(2) 0.01759(8) Uani 1 1 d . . . . .
Cl1 Cl 0.30895(11) -0.06714(11) 0.64221(5) 0.0233(3) Uani 1 1 d . . . . .
Cl2 Cl 0.02385(11) -0.19733(11) 0.64276(5) 0.0227(3) Uani 1 1 d . . . . .
Cl3 Cl 0.27671(11) 0.00160(11) 0.35882(5) 0.0224(3) Uani 1 1 d . . . . .
Cl4 Cl 0.15739(11) -0.28393(11) 0.35913(5) 0.0219(3) Uani 1 1 d . . . . .
P1 P 0.18765(13) 0.05567(13) 0.57834(5) 0.0195(3) Uani 1 1 d . . . . .
P2 P 0.40740(12) -0.10931(12) 0.42265(5) 0.0185(3) Uani 1 1 d . . . . .
N1 N 0.2060(4) -0.0082(4) 0.52641(15) 0.0215(8) Uani 1 1 d . . . . .
N2 N 0.3360(4) -0.0996(4) 0.47459(15) 0.0199(9) Uani 1 1 d . . . . .
C1 C 0.1368(5) 0.1207(5) 0.6931(2) 0.0240(12) Uani 1 1 d . . . . .
H1 H 0.1109 0.1593 0.6685 0.029 Uiso 1 1 calc R U . . .
C2 C 0.0553(5) 0.0149(5) 0.7139(2) 0.0233(11) Uani 1 1 d . . . . .
C3 C 0.2561(5) 0.1633(4) 0.6988(2) 0.0214(11) Uani 1 1 d . . . . .
H3 H 0.3109 0.2303 0.6780 0.026 Uiso 1 1 calc R U . . .
C4 C 0.2953(5) 0.0976(5) 0.7246(2) 0.0225(11) Uani 1 1 d . . . . .
C5 C 0.2122(5) -0.0091(5) 0.74696(18) 0.0230(11) Uani 1 1 d . . . . .
H5 H 0.2368 -0.0627 0.7599 0.028 Uiso 1 1 calc R U . . .
C6 C 0.0979(5) -0.0466(5) 0.7418(2) 0.0232(11) Uani 1 1 d . . . . .
H6 H 0.0432 -0.1277 0.7505 0.028 Uiso 1 1 calc R U . . .
C7 C -0.0700(5) -0.0318(6) 0.7082(2) 0.0312(14) Uani 1 1 d . . . . .
H7A H -0.1029 -0.0314 0.7414 0.047 Uiso 1 1 calc R U . . .
H7B H -0.1055 -0.1099 0.6953 0.047 Uiso 1 1 calc R U . . .
H7C H -0.0835 0.0153 0.6840 0.047 Uiso 1 1 calc R U . . .
C8 C 0.4199(4) 0.1344(5) 0.7306(2) 0.0260(12) Uani 1 1 d . . . . .
H8 H 0.4285 0.0670 0.7226 0.031 Uiso 1 1 calc R U . . .
C9 C 0.4559(5) 0.1673(5) 0.7863(2) 0.0313(13) Uani 1 1 d . . . . .
H9A H 0.5296 0.1724 0.7921 0.047 Uiso 1 1 calc R U . . .
H9B H 0.3989 0.1096 0.8090 0.047 Uiso 1 1 calc R U . . .
H9C H 0.4623 0.2411 0.7935 0.047 Uiso 1 1 calc R U . . .
C10 C 0.4983(5) 0.2297(6) 0.6949(2) 0.0402(16) Uani 1 1 d . . . . .
H10A H 0.5746 0.2390 0.6963 0.060 Uiso 1 1 calc R U . . .
H10B H 0.5019 0.3006 0.7055 0.060 Uiso 1 1 calc R U . . .
H10C H 0.4691 0.2109 0.6599 0.060 Uiso 1 1 calc R U . . .
C11 C 0.0687(5) 0.0784(5) 0.5616(2) 0.0249(12) Uani 1 1 d . . . . .
C12 C -0.0402(5) -0.0013(5) 0.5800(2) 0.0262(12) Uani 1 1 d . . . . .
H12 H -0.0479 -0.0590 0.6028 0.031 Uiso 1 1 calc R U . . .
C13 C -0.1356(6) 0.0028(6) 0.5655(3) 0.0360(15) Uani 1 1 d . . . . .
H13 H -0.2079 -0.0513 0.5786 0.043 Uiso 1 1 calc R U . . .
C14 C -0.1262(6) 0.0847(6) 0.5321(2) 0.0346(15) Uani 1 1 d . . . . .
H14 H -0.1919 0.0876 0.5220 0.041 Uiso 1 1 calc R U . . .
C15 C -0.0199(6) 0.1636(5) 0.5132(2) 0.0343(15) Uani 1 1 d . . . . .
H15 H -0.0135 0.2197 0.4896 0.041 Uiso 1 1 calc R U . . .
C16 C 0.0765(5) 0.1615(5) 0.5282(2) 0.0277(13) Uani 1 1 d . . . . .
H16 H 0.1487 0.2173 0.5156 0.033 Uiso 1 1 calc R U . . .
C17 C 0.3150(5) 0.1962(5) 0.5722(2) 0.0210(11) Uani 1 1 d . . . . .
C18 C 0.3175(5) 0.2951(5) 0.5878(2) 0.0229(12) Uani 1 1 d . . . . .
H18 H 0.2502 0.2922 0.6000 0.027 Uiso 1 1 calc R U . . .
C19 C 0.4194(5) 0.3993(5) 0.5854(2) 0.0275(12) Uani 1 1 d . . . . .
H19 H 0.4202 0.4671 0.5950 0.033 Uiso 1 1 calc R U . . .
C20 C 0.5186(6) 0.4046(5) 0.5693(2) 0.0298(13) Uani 1 1 d . . . . .
H20 H 0.5877 0.4753 0.5689 0.036 Uiso 1 1 calc R U . . .
C21 C 0.5167(6) 0.3064(5) 0.5539(2) 0.0303(13) Uani 1 1 d . . . . .
H21 H 0.5847 0.3098 0.5424 0.036 Uiso 1 1 calc R U . . .
C22 C 0.4152(5) 0.2018(5) 0.5550(2) 0.0283(13) Uani 1 1 d . . . . .
H22 H 0.4143 0.1347 0.5440 0.034 Uiso 1 1 calc R U . . .
C23 C 0.2048(5) 0.0453(5) 0.4772(2) 0.0274(12) Uani 1 1 d . . . . .
H23A H 0.2457 0.0275 0.4513 0.041 Uiso 1 1 calc R U . . .
H23B H 0.2418 0.1278 0.4816 0.041 Uiso 1 1 calc R U . . .
H23C H 0.1260 0.0158 0.4662 0.041 Uiso 1 1 calc R U . . .
C24 C 0.1587(4) -0.1317(5) 0.52235(19) 0.0199(11) Uani 1 1 d . . . . .
H24 H 0.1756 -0.1576 0.5553 0.024 Uiso 1 1 calc R U . . .
C25 C 0.0303(5) -0.1980(5) 0.5153(2) 0.0239(12) Uani 1 1 d . . . . .
H25A H 0.0109 -0.1842 0.4806 0.029 Uiso 1 1 calc R U . . .
H25B H -0.0059 -0.1713 0.5403 0.029 Uiso 1 1 calc R U . . .
C26 C -0.0160(5) -0.3265(6) 0.5228(2) 0.0316(14) Uani 1 1 d . . . . .
H26A H 0.0005 -0.3409 0.5579 0.038 Uiso 1 1 calc R U . . .
H26B H -0.0994 -0.3685 0.5179 0.038 Uiso 1 1 calc R U . . .
C27 C 0.0397(6) -0.3687(6) 0.4841(2) 0.0331(14) Uani 1 1 d . . . . .
H27A H 0.0136 -0.3651 0.4492 0.040 Uiso 1 1 calc R U . . .
H27B H 0.0162 -0.4490 0.4915 0.040 Uiso 1 1 calc R U . . .
C28 C 0.1702(5) -0.2960(5) 0.4865(2) 0.0275(12) Uani 1 1 d . . . . .
H28A H 0.1969 -0.3068 0.5201 0.033 Uiso 1 1 calc R U . . .
H28B H 0.2038 -0.3217 0.4597 0.033 Uiso 1 1 calc R U . . .
C29 C 0.2112(5) -0.1689(5) 0.4787(2) 0.0208(11) Uani 1 1 d . . . . .
H29 H 0.1785 -0.1613 0.4457 0.025 Uiso 1 1 calc R U . . .
C30 C 0.3956(5) -0.0843(5) 0.5235(2) 0.0228(11) Uani 1 1 d . . . . .
H30A H 0.3641 -0.0554 0.5492 0.034 Uiso 1 1 calc R U . . .
H30B H 0.4768 -0.0300 0.5190 0.034 Uiso 1 1 calc R U . . .
H30C H 0.3857 -0.1575 0.5348 0.034 Uiso 1 1 calc R U . . .
C31 C 0.5416(5) 0.0242(5) 0.42818(19) 0.0209(11) Uani 1 1 d . . . . .
C32 C 0.5390(5) 0.1221(5) 0.4420(2) 0.0245(12) Uani 1 1 d . . . . .
H32 H 0.4690 0.1174 0.4511 0.029 Uiso 1 1 calc R U . . .
C33 C 0.6387(5) 0.2262(5) 0.4426(2) 0.0288(12) Uani 1 1 d . . . . .
H33 H 0.6369 0.2927 0.4522 0.035 Uiso 1 1 calc R U . . .
C34 C 0.7402(5) 0.2339(5) 0.4295(2) 0.0295(13) Uani 1 1 d . . . . .
H34 H 0.8084 0.3053 0.4309 0.035 Uiso 1 1 calc R U . . .
C35 C 0.7437(5) 0.1393(5) 0.4143(2) 0.0287(13) Uani 1 1 d . . . . .
H35 H 0.8138 0.1455 0.4042 0.034 Uiso 1 1 calc R U . . .
C36 C 0.6445(5) 0.0341(5) 0.4136(2) 0.0239(12) Uani 1 1 d . . . . .
H36 H 0.6471 -0.0315 0.4030 0.029 Uiso 1 1 calc R U . . .
C37 C 0.4461(5) -0.2171(5) 0.43977(19) 0.0225(11) Uani 1 1 d . . . . .
C38 C 0.5259(5) -0.2008(5) 0.4775(2) 0.0274(12) Uani 1 1 d . . . . .
H38 H 0.5723 -0.1274 0.4918 0.033 Uiso 1 1 calc R U . . .
C39 C 0.5375(6) -0.2918(6) 0.4943(2) 0.0343(14) Uani 1 1 d . . . . .
H39 H 0.5914 -0.2803 0.5201 0.041 Uiso 1 1 calc R U . . .
C40 C 0.4718(6) -0.3970(6) 0.4739(2) 0.0368(16) Uani 1 1 d . . . . .
H40 H 0.4796 -0.4588 0.4859 0.044 Uiso 1 1 calc R U . . .
C41 C 0.3938(6) -0.4150(6) 0.4360(3) 0.0387(15) Uani 1 1 d . . . . .
H41 H 0.3501 -0.4883 0.4212 0.046 Uiso 1 1 calc R U . . .
C42 C 0.3798(5) -0.3263(5) 0.4198(2) 0.0300(13) Uani 1 1 d . . . . .
H42 H 0.3241 -0.3396 0.3946 0.036 Uiso 1 1 calc R U . . .
C43 C 0.3692(5) -0.2417(5) 0.2852(2) 0.0235(12) Uani 1 1 d . . . . .
C44 C 0.3052(5) -0.2008(5) 0.25836(19) 0.0243(12) Uani 1 1 d . . . . .
H44 H 0.2249 -0.2559 0.2486 0.029 Uiso 1 1 calc R U . . .
C45 C 0.3440(5) -0.0859(5) 0.25456(19) 0.0242(12) Uani 1 1 d . . . . .
H45 H 0.2901 -0.0611 0.2423 0.029 Uiso 1 1 calc R U . . .
C46 C 0.4490(5) -0.0030(5) 0.2770(2) 0.0236(12) Uani 1 1 d . . . . .
C47 C 0.5130(5) -0.0429(5) 0.3029(2) 0.0213(11) Uani 1 1 d . . . . .
H47 H 0.5789 0.0114 0.3244 0.026 Uiso 1 1 calc R U . . .
C48 C 0.4732(5) -0.1603(5) 0.3072(2) 0.0220(11) Uani 1 1 d . . . . .
H48 H 0.5122 -0.1866 0.3315 0.026 Uiso 1 1 calc R U . . .
C49 C 0.3245(5) -0.3675(5) 0.2894(2) 0.0298(13) Uani 1 1 d . . . . .
H49A H 0.3090 -0.4011 0.2551 0.045 Uiso 1 1 calc R U . . .
H49B H 0.2541 -0.4026 0.3094 0.045 Uiso 1 1 calc R U . . .
H49C H 0.3812 -0.3807 0.3063 0.045 Uiso 1 1 calc R U . . .
C50 C 0.4843(6) 0.1218(5) 0.2716(2) 0.0302(13) Uani 1 1 d . . . . .
H50 H 0.4180 0.1301 0.2820 0.036 Uiso 1 1 calc R U . . .
C51 C 0.5104(5) 0.1580(5) 0.2161(2) 0.0327(13) Uani 1 1 d . . . . .
H51A H 0.5238 0.2355 0.2122 0.049 Uiso 1 1 calc R U . . .
H51B H 0.4459 0.1061 0.1947 0.049 Uiso 1 1 calc R U . . .
H51C H 0.5785 0.1558 0.2054 0.049 Uiso 1 1 calc R U . . .
C52 C 0.5845(7) 0.2015(6) 0.3048(2) 0.054(2) Uani 1 1 d . . . . .
H52A H 0.5975 0.2790 0.3016 0.080 Uiso 1 1 calc R U . . .
H52B H 0.6525 0.1999 0.2937 0.080 Uiso 1 1 calc R U . . .
H52C H 0.5680 0.1771 0.3405 0.080 Uiso 1 1 calc R U . . .
C1S C 0.3563(9) 0.2858(7) 0.3499(3) 0.102(3) Uani 1 1 d D U . . .
H1SA H 0.3635 0.2195 0.3398 0.122 Uiso 0.7 1 calc R U P A 1
H1SS H 0.2741 0.2605 0.3501 0.122 Uiso 0.7 1 calc R U P A 1
H1SC H 0.4214 0.3052 0.3269 0.122 Uiso 0.3 1 calc R U P B 2
H1SD H 0.3035 0.2029 0.3476 0.122 Uiso 0.3 1 calc R U P B 2
Cl1S Cl 0.4054(2) 0.32093(18) 0.41228(12) 0.0805(8) Uani 1 1 d D U . . .
Cl2S Cl 0.4197(3) 0.3883(3) 0.30257(19) 0.0920(13) Uani 0.7 1 d D U P C 1
Cl3S Cl 0.2921(7) 0.3514(6) 0.3312(5) 0.079(2) Uani 0.3 1 d D U P C 2
C1T C 0.0107(6) 0.4006(7) 0.3507(2) 0.064(2) Uani 1 1 d D . . . .
H1TA H -0.0727 0.3636 0.3553 0.076 Uiso 1 1 calc R U . . .
H1TB H 0.0394 0.4820 0.3434 0.076 Uiso 1 1 calc R U . . .
Cl1T Cl 0.0705(2) 0.3901(2) 0.40763(10) 0.0777(7) Uani 1 1 d D . . . .
Cl2T Cl 0.0386(3) 0.3401(2) 0.29838(9) 0.0789(7) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C1 2.205(5) . ?
Ru1 C4 2.223(5) . ?
Ru1 C6 2.224(5) . ?
Ru1 C2 2.225(6) . ?
Ru1 C3 2.228(5) . ?
Ru1 C5 2.231(5) . ?
Ru1 P1 2.3858(14) . ?
Ru1 Cl1 2.3943(13) . ?
Ru1 Cl2 2.4048(14) . ?
Ru2 C48 2.189(5) . ?
Ru2 C47 2.204(6) . ?
Ru2 C45 2.218(5) . ?
Ru2 C44 2.222(5) . ?
Ru2 C43 2.223(5) . ?
Ru2 C46 2.230(5) . ?
Ru2 P2 2.3914(15) . ?
Ru2 Cl3 2.3951(13) . ?
Ru2 Cl4 2.4062(14) . ?
P1 N1 1.697(4) . ?
P1 C17 1.833(6) . ?
P1 C11 1.844(6) . ?
P2 N2 1.713(4) . ?
P2 C31 1.824(6) . ?
P2 C37 1.842(5) . ?
N1 C24 1.469(7) . ?
N1 C23 1.484(6) . ?
N2 C30 1.473(7) . ?
N2 C29 1.475(7) . ?
C1 C2 1.414(8) . ?
C1 C3 1.430(8) . ?
C2 C6 1.431(8) . ?
C2 C7 1.498(8) . ?
C3 C4 1.418(8) . ?
C4 C5 1.444(8) . ?
C4 C8 1.514(7) . ?
C5 C6 1.377(8) . ?
C8 C10 1.518(8) . ?
C8 C9 1.533(8) . ?
C11 C16 1.389(8) . ?
C11 C12 1.411(9) . ?
C12 C13 1.378(8) . ?
C13 C14 1.370(10) . ?
C14 C15 1.390(10) . ?
C15 C16 1.381(9) . ?
C17 C18 1.389(8) . ?
C17 C22 1.400(8) . ?
C18 C19 1.402(8) . ?
C19 C20 1.378(9) . ?
C20 C21 1.383(9) . ?
C21 C22 1.401(9) . ?
C24 C25 1.522(8) . ?
C24 C29 1.561(6) . ?
C25 C26 1.544(9) . ?
C26 C27 1.538(8) . ?
C27 C28 1.540(9) . ?
C28 C29 1.539(8) . ?
C31 C36 1.390(8) . ?
C31 C32 1.396(8) . ?
C32 C33 1.385(8) . ?
C33 C34 1.373(9) . ?
C34 C35 1.369(9) . ?
C35 C36 1.390(8) . ?
C37 C42 1.396(9) . ?
C37 C38 1.401(8) . ?
C38 C39 1.392(8) . ?
C39 C40 1.360(10) . ?
C40 C41 1.381(10) . ?
C41 C42 1.378(9) . ?
C43 C48 1.410(8) . ?
C43 C44 1.428(8) . ?
C43 C49 1.505(8) . ?
C44 C45 1.379(8) . ?
C45 C46 1.429(8) . ?
C46 C47 1.407(8) . ?
C46 C50 1.520(8) . ?
C47 C48 1.410(8) . ?
C50 C52 1.518(9) . ?
C50 C51 1.520(7) . ?
C1S Cl3S 1.603(10) . ?
C1S Cl2S 1.737(7) . ?
C1S Cl1S 1.738(7) . ?
C1T Cl2T 1.735(7) . ?
C1T Cl1T 1.736(7) . ?

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
C1 Ru1 C4 67.7(2) . . ?
C1 Ru1 C6 66.3(2) . . ?
C4 Ru1 C6 66.7(2) . . ?
C1 Ru1 C2 37.2(2) . . ?
C4 Ru1 C2 80.8(2) . . ?
C6 Ru1 C2 37.5(2) . . ?
C1 Ru1 C3 37.6(2) . . ?
C4 Ru1 C3 37.2(2) . . ?
C6 Ru1 C3 78.2(2) . . ?
C2 Ru1 C3 67.8(2) . . ?
C1 Ru1 C5 79.0(2) . . ?
C4 Ru1 C5 37.8(2) . . ?
C6 Ru1 C5 36.0(2) . . ?
C2 Ru1 C5 67.2(2) . . ?
C3 Ru1 C5 66.9(2) . . ?
C1 Ru1 P1 91.92(15) . . ?
C4 Ru1 P1 122.24(16) . . ?
C6 Ru1 P1 152.37(16) . . ?
C2 Ru1 P1 115.10(15) . . ?
C3 Ru1 P1 95.07(15) . . ?
C5 Ru1 P1 160.04(16) . . ?
C1 Ru1 Cl1 149.93(16) . . ?
C4 Ru1 Cl1 86.96(15) . . ?
C6 Ru1 Cl1 119.34(16) . . ?
C2 Ru1 Cl1 156.80(15) . . ?
C3 Ru1 Cl1 112.41(15) . . ?
C5 Ru1 Cl1 91.08(14) . . ?
P1 Ru1 Cl1 88.10(5) . . ?
C1 Ru1 Cl2 121.19(16) . . ?
C4 Ru1 Cl2 144.86(15) . . ?
C6 Ru1 Cl2 85.39(15) . . ?
C2 Ru1 Cl2 89.99(15) . . ?
C3 Ru1 Cl2 157.65(15) . . ?
C5 Ru1 Cl2 107.50(16) . . ?
P1 Ru1 Cl2 92.43(5) . . ?
Cl1 Ru1 Cl2 88.82(5) . . ?
C48 Ru2 C47 37.4(2) . . ?
C48 Ru2 C45 78.5(2) . . ?
C47 Ru2 C45 66.5(2) . . ?
C48 Ru2 C44 66.8(2) . . ?
C47 Ru2 C44 78.7(2) . . ?
C45 Ru2 C44 36.2(2) . . ?
C48 Ru2 C43 37.3(2) . . ?
C47 Ru2 C43 67.5(2) . . ?
C45 Ru2 C43 66.7(2) . . ?
C44 Ru2 C43 37.5(2) . . ?
C48 Ru2 C46 67.4(2) . . ?
C47 Ru2 C46 37.0(2) . . ?
C45 Ru2 C46 37.5(2) . . ?
C44 Ru2 C46 66.9(2) . . ?
C43 Ru2 C46 80.2(2) . . ?
C48 Ru2 P2 92.84(15) . . ?
C47 Ru2 P2 94.50(15) . . ?
C45 Ru2 P2 158.18(16) . . ?
C44 Ru2 P2 154.51(16) . . ?
C43 Ru2 P2 117.24(15) . . ?
C46 Ru2 P2 120.69(15) . . ?
C48 Ru2 Cl3 150.55(16) . . ?
C47 Ru2 Cl3 113.16(15) . . ?
C45 Ru2 Cl3 90.72(15) . . ?
C44 Ru2 Cl3 118.16(16) . . ?
C43 Ru2 Cl3 155.59(15) . . ?
C46 Ru2 Cl3 87.38(15) . . ?
P2 Ru2 Cl3 87.18(5) . . ?
C48 Ru2 Cl4 120.11(16) . . ?
C47 Ru2 Cl4 156.89(15) . . ?
C45 Ru2 Cl4 109.88(16) . . ?
C44 Ru2 Cl4 86.11(15) . . ?
C43 Ru2 Cl4 89.87(15) . . ?
C46 Ru2 Cl4 147.07(15) . . ?
P2 Ru2 Cl4 91.81(5) . . ?
Cl3 Ru2 Cl4 89.31(5) . . ?
N1 P1 C17 99.2(2) . . ?
N1 P1 C11 105.1(2) . . ?
C17 P1 C11 104.7(3) . . ?
N1 P1 Ru1 124.59(16) . . ?
C17 P1 Ru1 109.01(17) . . ?
C11 P1 Ru1 112.01(19) . . ?
N2 P2 C31 100.6(2) . . ?
N2 P2 C37 105.4(2) . . ?
C31 P2 C37 103.3(3) . . ?
N2 P2 Ru2 123.93(16) . . ?
C31 P2 Ru2 108.37(17) . . ?
C37 P2 Ru2 112.80(18) . . ?
C24 N1 C23 113.0(4) . . ?
C24 N1 P1 123.3(3) . . ?
C23 N1 P1 113.9(3) . . ?
C30 N2 C29 113.7(4) . . ?
C30 N2 P2 114.1(3) . . ?
C29 N2 P2 121.5(3) . . ?
C2 C1 C3 121.6(5) . . ?
C2 C1 Ru1 72.2(3) . . ?
C3 C1 Ru1 72.1(3) . . ?
C1 C2 C6 116.8(5) . . ?
C1 C2 C7 122.5(5) . . ?
C6 C2 C7 120.7(5) . . ?
C1 C2 Ru1 70.6(3) . . ?
C6 C2 Ru1 71.2(3) . . ?
C7 C2 Ru1 129.3(4) . . ?
C4 C3 C1 120.1(5) . . ?
C4 C3 Ru1 71.3(3) . . ?
C1 C3 Ru1 70.3(3) . . ?
C3 C4 C5 118.3(5) . . ?
C3 C4 C8 123.5(5) . . ?
C5 C4 C8 118.3(5) . . ?
C3 C4 Ru1 71.6(3) . . ?
C5 C4 Ru1 71.4(3) . . ?
C8 C4 Ru1 129.0(4) . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 Ru1 71.7(3) . . ?
C4 C5 Ru1 70.8(3) . . ?
C5 C6 C2 123.0(5) . . ?
C5 C6 Ru1 72.3(3) . . ?
C2 C6 Ru1 71.3(3) . . ?
C4 C8 C10 114.2(5) . . ?
C4 C8 C9 109.6(4) . . ?
C10 C8 C9 110.6(5) . . ?
C16 C11 C12 117.6(5) . . ?
C16 C11 P1 124.7(5) . . ?
C12 C11 P1 117.4(4) . . ?
C13 C12 C11 121.4(6) . . ?
C14 C13 C12 120.1(7) . . ?
C13 C14 C15 119.5(6) . . ?
C16 C15 C14 120.9(6) . . ?
C15 C16 C11 120.5(6) . . ?
C18 C17 C22 119.3(5) . . ?
C18 C17 P1 122.4(4) . . ?
C22 C17 P1 118.1(4) . . ?
C17 C18 C19 119.9(5) . . ?
C20 C19 C18 120.8(5) . . ?
C19 C20 C21 119.5(6) . . ?
C20 C21 C22 120.4(6) . . ?
C17 C22 C21 120.0(6) . . ?
N1 C24 C25 113.8(4) . . ?
N1 C24 C29 114.4(4) . . ?
C25 C24 C29 107.1(4) . . ?
C24 C25 C26 110.6(5) . . ?
C27 C26 C25 109.9(5) . . ?
C26 C27 C28 110.9(5) . . ?
C29 C28 C27 111.7(5) . . ?
N2 C29 C28 112.4(4) . . ?
N2 C29 C24 114.4(4) . . ?
C28 C29 C24 107.4(4) . . ?
C36 C31 C32 118.9(5) . . ?
C36 C31 P2 122.1(4) . . ?
C32 C31 P2 118.6(4) . . ?
C33 C32 C31 119.8(6) . . ?
C34 C33 C32 120.5(6) . . ?
C35 C34 C33 120.4(6) . . ?
C34 C35 C36 119.9(6) . . ?
C35 C36 C31 120.4(6) . . ?
C42 C37 C38 118.1(5) . . ?
C42 C37 P2 117.7(4) . . ?
C38 C37 P2 123.5(4) . . ?
C39 C38 C37 120.3(6) . . ?
C40 C39 C38 120.2(6) . . ?
C39 C40 C41 120.7(6) . . ?
C42 C41 C40 119.7(7) . . ?
C41 C42 C37 121.0(6) . . ?
C48 C43 C44 117.6(5) . . ?
C48 C43 C49 122.5(5) . . ?
C44 C43 C49 119.9(5) . . ?
C48 C43 Ru2 70.1(3) . . ?
C44 C43 Ru2 71.2(3) . . ?
C49 C43 Ru2 129.4(4) . . ?
C45 C44 C43 120.9(5) . . ?
C45 C44 Ru2 71.7(3) . . ?
C43 C44 Ru2 71.3(3) . . ?
C44 C45 C46 121.9(5) . . ?
C44 C45 Ru2 72.1(3) . . ?
C46 C45 Ru2 71.7(3) . . ?
C47 C46 C45 117.3(5) . . ?
C47 C46 C50 124.3(5) . . ?
C45 C46 C50 118.4(5) . . ?
C47 C46 Ru2 70.5(3) . . ?
C45 C46 Ru2 70.8(3) . . ?
C50 C46 Ru2 129.3(4) . . ?
C46 C47 C48 120.9(5) . . ?
C46 C47 Ru2 72.5(3) . . ?
C48 C47 Ru2 70.7(3) . . ?
C47 C48 C43 121.4(5) . . ?
C47 C48 Ru2 71.9(3) . . ?
C43 C48 Ru2 72.6(3) . . ?
C52 C50 C51 109.6(5) . . ?
C52 C50 C46 114.4(5) . . ?
C51 C50 C46 110.0(5) . . ?
Cl3S C1S Cl1S 112.0(7) . . ?
Cl2S C1S Cl1S 118.8(5) . . ?
Cl2T C1T Cl1T 114.7(4) . . ?

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
C17 P1 N1 C24 154.0(4) . . . . ?
C11 P1 N1 C24 -97.9(4) . . . . ?
Ru1 P1 N1 C24 33.2(5) . . . . ?
C17 P1 N1 C23 -62.7(4) . . . . ?
C11 P1 N1 C23 45.4(5) . . . . ?
Ru1 P1 N1 C23 176.5(3) . . . . ?
C31 P2 N2 C30 -57.0(4) . . . . ?
C37 P2 N2 C30 50.2(4) . . . . ?
Ru2 P2 N2 C30 -177.8(3) . . . . ?
C31 P2 N2 C29 160.8(4) . . . . ?
C37 P2 N2 C29 -92.0(4) . . . . ?
Ru2 P2 N2 C29 40.0(4) . . . . ?
C3 C1 C2 C6 1.2(8) . . . . ?
Ru1 C1 C2 C6 55.9(4) . . . . ?
C3 C1 C2 C7 -179.6(5) . . . . ?
Ru1 C1 C2 C7 -124.9(5) . . . . ?
C3 C1 C2 Ru1 -54.7(5) . . . . ?
C2 C1 C3 C4 1.8(8) . . . . ?
Ru1 C1 C3 C4 -53.0(5) . . . . ?
C2 C1 C3 Ru1 54.8(5) . . . . ?
C1 C3 C4 C5 -3.3(8) . . . . ?
Ru1 C3 C4 C5 -55.8(4) . . . . ?
C1 C3 C4 C8 177.7(5) . . . . ?
Ru1 C3 C4 C8 125.1(5) . . . . ?
C1 C3 C4 Ru1 52.6(5) . . . . ?
C3 C4 C5 C6 1.8(8) . . . . ?
C8 C4 C5 C6 -179.0(5) . . . . ?
Ru1 C4 C5 C6 -54.1(5) . . . . ?
C3 C4 C5 Ru1 55.9(4) . . . . ?
C8 C4 C5 Ru1 -124.9(5) . . . . ?
C4 C5 C6 C2 1.2(8) . . . . ?
Ru1 C5 C6 C2 -52.5(5) . . . . ?
C4 C5 C6 Ru1 53.7(5) . . . . ?
C1 C2 C6 C5 -2.7(8) . . . . ?
C7 C2 C6 C5 178.0(5) . . . . ?
Ru1 C2 C6 C5 52.9(5) . . . . ?
C1 C2 C6 Ru1 -55.6(4) . . . . ?
C7 C2 C6 Ru1 125.1(5) . . . . ?
C3 C4 C8 C10 -16.1(8) . . . . ?
C5 C4 C8 C10 164.8(5) . . . . ?
Ru1 C4 C8 C10 76.6(7) . . . . ?
C3 C4 C8 C9 108.5(6) . . . . ?
C5 C4 C8 C9 -70.6(6) . . . . ?
Ru1 C4 C8 C9 -158.7(4) . . . . ?
N1 P1 C11 C16 -74.9(5) . . . . ?
C17 P1 C11 C16 29.1(6) . . . . ?
Ru1 P1 C11 C16 147.1(4) . . . . ?
N1 P1 C11 C12 98.5(5) . . . . ?
C17 P1 C11 C12 -157.5(4) . . . . ?
Ru1 P1 C11 C12 -39.5(5) . . . . ?
C16 C11 C12 C13 0.0(8) . . . . ?
P1 C11 C12 C13 -173.9(5) . . . . ?
C11 C12 C13 C14 0.7(10) . . . . ?
C12 C13 C14 C15 -0.2(10) . . . . ?
C13 C14 C15 C16 -1.0(9) . . . . ?
C14 C15 C16 C11 1.7(9) . . . . ?
C12 C11 C16 C15 -1.2(8) . . . . ?
P1 C11 C16 C15 172.2(4) . . . . ?
N1 P1 C17 C18 147.9(4) . . . . ?
C11 P1 C17 C18 39.5(5) . . . . ?
Ru1 P1 C17 C18 -80.5(5) . . . . ?
N1 P1 C17 C22 -37.2(5) . . . . ?
C11 P1 C17 C22 -145.6(5) . . . . ?
Ru1 P1 C17 C22 94.3(4) . . . . ?
C22 C17 C18 C19 0.8(8) . . . . ?
P1 C17 C18 C19 175.6(4) . . . . ?
C17 C18 C19 C20 -2.0(9) . . . . ?
C18 C19 C20 C21 2.0(9) . . . . ?
C19 C20 C21 C22 -0.7(9) . . . . ?
C18 C17 C22 C21 0.5(8) . . . . ?
P1 C17 C22 C21 -174.6(4) . . . . ?
C20 C21 C22 C17 -0.5(9) . . . . ?
C23 N1 C24 C25 -71.8(5) . . . . ?
P1 N1 C24 C25 71.8(5) . . . . ?
C23 N1 C24 C29 51.7(6) . . . . ?
P1 N1 C24 C29 -164.7(3) . . . . ?
N1 C24 C25 C26 -168.0(4) . . . . ?
C29 C24 C25 C26 64.6(5) . . . . ?
C24 C25 C26 C27 -59.2(6) . . . . ?
C25 C26 C27 C28 52.9(7) . . . . ?
C26 C27 C28 C29 -55.3(7) . . . . ?
C30 N2 C29 C28 -73.1(5) . . . . ?
P2 N2 C29 C28 69.2(5) . . . . ?
C30 N2 C29 C24 49.7(5) . . . . ?
P2 N2 C29 C24 -167.9(3) . . . . ?
C27 C28 C29 N2 -173.0(4) . . . . ?
C27 C28 C29 C24 60.3(6) . . . . ?
N1 C24 C29 N2 43.5(5) . . . . ?
C25 C24 C29 N2 170.5(5) . . . . ?
N1 C24 C29 C28 169.0(5) . . . . ?
C25 C24 C29 C28 -63.9(5) . . . . ?
N2 P2 C31 C36 146.5(5) . . . . ?
C37 P2 C31 C36 37.7(5) . . . . ?
Ru2 P2 C31 C36 -82.2(5) . . . . ?
N2 P2 C31 C32 -40.9(5) . . . . ?
C37 P2 C31 C32 -149.6(4) . . . . ?
Ru2 P2 C31 C32 90.5(4) . . . . ?
C36 C31 C32 C33 -2.0(8) . . . . ?
P2 C31 C32 C33 -174.9(4) . . . . ?
C31 C32 C33 C34 0.2(9) . . . . ?
C32 C33 C34 C35 1.8(9) . . . . ?
C33 C34 C35 C36 -1.9(9) . . . . ?
C34 C35 C36 C31 0.0(9) . . . . ?
C32 C31 C36 C35 1.9(8) . . . . ?
P2 C31 C36 C35 174.6(4) . . . . ?
N2 P2 C37 C42 101.2(4) . . . . ?
C31 P2 C37 C42 -153.6(4) . . . . ?
Ru2 P2 C37 C42 -36.8(5) . . . . ?
N2 P2 C37 C38 -68.4(5) . . . . ?
C31 P2 C37 C38 36.7(5) . . . . ?
Ru2 P2 C37 C38 153.5(4) . . . . ?
C42 C37 C38 C39 -0.1(8) . . . . ?
P2 C37 C38 C39 169.4(4) . . . . ?
C37 C38 C39 C40 0.3(8) . . . . ?
C38 C39 C40 C41 0.8(9) . . . . ?
C39 C40 C41 C42 -2.1(10) . . . . ?
C40 C41 C42 C37 2.3(10) . . . . ?
C38 C37 C42 C41 -1.2(9) . . . . ?
P2 C37 C42 C41 -171.4(5) . . . . ?
C48 C43 C44 C45 -0.4(8) . . . . ?
C49 C43 C44 C45 179.2(5) . . . . ?
Ru2 C43 C44 C45 54.0(5) . . . . ?
C48 C43 C44 Ru2 -54.3(4) . . . . ?
C49 C43 C44 Ru2 125.3(5) . . . . ?
C43 C44 C45 C46 0.1(8) . . . . ?
Ru2 C44 C45 C46 53.8(5) . . . . ?
C43 C44 C45 Ru2 -53.8(5) . . . . ?
C44 C45 C46 C47 0.7(8) . . . . ?
Ru2 C45 C46 C47 54.7(4) . . . . ?
C44 C45 C46 C50 -179.0(5) . . . . ?
Ru2 C45 C46 C50 -125.0(5) . . . . ?
C44 C45 C46 Ru2 -54.0(5) . . . . ?
C45 C46 C47 C48 -1.2(8) . . . . ?
C50 C46 C47 C48 178.5(5) . . . . ?
Ru2 C46 C47 C48 53.7(5) . . . . ?
C45 C46 C47 Ru2 -54.8(4) . . . . ?
C50 C46 C47 Ru2 124.9(5) . . . . ?
C46 C47 C48 C43 0.9(8) . . . . ?
Ru2 C47 C48 C43 55.4(5) . . . . ?
C46 C47 C48 Ru2 -54.5(5) . . . . ?
C44 C43 C48 C47 -0.2(8) . . . . ?
C49 C43 C48 C47 -179.7(5) . . . . ?
Ru2 C43 C48 C47 -55.1(5) . . . . ?
C44 C43 C48 Ru2 54.9(4) . . . . ?
C49 C43 C48 Ru2 -124.7(5) . . . . ?
C47 C46 C50 C52 -10.7(8) . . . . ?
C45 C46 C50 C52 169.0(5) . . . . ?
Ru2 C46 C50 C52 81.3(7) . . . . ?
C47 C46 C50 C51 113.1(6) . . . . ?
C45 C46 C50 C51 -67.2(7) . . . . ?
Ru2 C46 C50 C51 -154.8(4) . . . . ?

_refine_diff_density_max         0.515
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.060
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_LB326_0m
_database_code_depnum_ccdc_archive 'CCDC 1552923'
_audit_update_record             
;
2017-05-29 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H60 Cl4 N2 P2 Ru2'
_chemical_formula_weight         1094.88
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_H-M   C2/c
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.7175(12)
_cell_length_b                   13.6257(8)
_cell_length_c                   19.4388(12)
_cell_angle_alpha                90
_cell_angle_beta                 111.7051(15)
_cell_angle_gamma                90
_cell_volume                     4852.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9449
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      34.53

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_F_000             2240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    0.945
_shelx_estimated_absorpt_T_min   0.798
_shelx_estimated_absorpt_T_max   0.937
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            50883
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.863
_diffrn_reflns_theta_max         34.889
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10063
_reflns_number_gt                8809
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²+7.5042P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10063
_refine_ls_number_parameters     304
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0734
_refine_ls_wR_factor_gt          0.0677
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.25002(2) 0.48869(2) 0.76865(2) 0.01705(3) Uani 1 1 d . . . . .
Cl1 Cl 0.25328(2) 0.60337(2) 0.67525(2) 0.02494(7) Uani 1 1 d . . . . .
Cl2 Cl 0.31492(2) 0.61028(2) 0.86000(2) 0.02205(6) Uani 1 1 d . . . . .
P1 P 0.36513(2) 0.43665(2) 0.77414(2) 0.02030(7) Uani 1 1 d . . . . .
N1 N 0.41770(8) 0.53223(9) 0.77641(10) 0.0315(3) Uani 1 1 d D . . . .
H1N H 0.3943(11) 0.5891(10) 0.7739(13) 0.038 Uiso 1 1 d D U . . .
C1 C 0.15420(10) 0.41425(13) 0.68782(10) 0.0334(3) Uani 1 1 d . . . . .
C2 C 0.20006(9) 0.34382(11) 0.73573(9) 0.0283(3) Uani 1 1 d . . . . .
H2 H 0.2252 0.2947 0.7152 0.034 Uiso 1 1 calc R U . . .
C3 C 0.22220(8) 0.35302(10) 0.81394(9) 0.0234(3) Uani 1 1 d . . . . .
H3 H 0.2625 0.3104 0.8466 0.028 Uiso 1 1 calc R U . . .
C4 C 0.19941(8) 0.43377(10) 0.84542(9) 0.0230(3) Uani 1 1 d . . . . .
C5 C 0.15015(9) 0.50340(11) 0.79636(10) 0.0266(3) Uani 1 1 d . . . . .
H5 H 0.1409 0.5670 0.8171 0.032 Uiso 1 1 calc R U . . .
C6 C 0.12857(9) 0.49374(12) 0.72000(11) 0.0315(3) Uani 1 1 d . . . . .
H6 H 0.1044 0.5508 0.6879 0.038 Uiso 1 1 calc R U . . .
C7 C 0.13207(15) 0.40732(19) 0.60477(12) 0.0548(6) Uani 1 1 d . . . . .
H7A H 0.0790 0.3999 0.5817 0.082 Uiso 1 1 calc R U . . .
H7B H 0.1559 0.3504 0.5926 0.082 Uiso 1 1 calc R U . . .
H7C H 0.1470 0.4672 0.5862 0.082 Uiso 1 1 calc R U . . .
C8 C 0.22138(10) 0.44585(12) 0.92804(10) 0.0307(3) Uani 1 1 d . . . . .
H8 H 0.2242 0.5178 0.9388 0.037 Uiso 1 1 calc R U . . .
C9 C 0.29509(13) 0.40140(16) 0.97355(11) 0.0430(4) Uani 1 1 d . . . . .
H9A H 0.3068 0.4156 1.0261 0.065 Uiso 1 1 calc R U . . .
H9B H 0.3327 0.4298 0.9579 0.065 Uiso 1 1 calc R U . . .
H9C H 0.2933 0.3302 0.9660 0.065 Uiso 1 1 calc R U . . .
C10 C 0.16051(14) 0.4028(2) 0.95059(13) 0.0530(6) Uani 1 1 d . . . . .
H10A H 0.1737 0.4105 1.0041 0.080 Uiso 1 1 calc R U . . .
H10B H 0.1544 0.3329 0.9378 0.080 Uiso 1 1 calc R U . . .
H10C H 0.1147 0.4375 0.9243 0.080 Uiso 1 1 calc R U . . .
C11 C 0.41431(8) 0.36447(11) 0.85620(9) 0.0236(3) Uani 1 1 d . . . . .
C12 C 0.46922(9) 0.40809(14) 0.91642(11) 0.0348(4) Uani 1 1 d . . . . .
H12 H 0.4844 0.4733 0.9122 0.042 Uiso 1 1 calc R U . . .
C13 C 0.50191(11) 0.35666(17) 0.98264(12) 0.0448(5) Uani 1 1 d . . . . .
H13 H 0.5397 0.3864 1.0229 0.054 Uiso 1 1 calc R U . . .
C14 C 0.47929(12) 0.26264(17) 0.98954(11) 0.0438(5) Uani 1 1 d . . . . .
H14 H 0.5007 0.2284 1.0350 0.053 Uiso 1 1 calc R U . . .
C15 C 0.42537(11) 0.21807(13) 0.93030(10) 0.0340(4) Uani 1 1 d . . . . .
H15 H 0.4103 0.1531 0.9352 0.041 Uiso 1 1 calc R U . . .
C16 C 0.39322(9) 0.26804(11) 0.86373(9) 0.0253(3) Uani 1 1 d . . . . .
H16 H 0.3568 0.2367 0.8231 0.030 Uiso 1 1 calc R U . . .
C17 C 0.36414(9) 0.35957(10) 0.69652(9) 0.0235(3) Uani 1 1 d . . . . .
C18 C 0.32065(13) 0.38817(14) 0.62504(10) 0.0395(4) Uani 1 1 d . . . . .
H18 H 0.2894 0.4434 0.6179 0.047 Uiso 1 1 calc R U . . .
C19 C 0.32250(15) 0.33645(17) 0.56382(11) 0.0482(5) Uani 1 1 d . . . . .
H19 H 0.2926 0.3567 0.5153 0.058 Uiso 1 1 calc R U . . .
C20 C 0.36752(11) 0.25592(13) 0.57348(10) 0.0350(4) Uani 1 1 d . . . . .
H20 H 0.3683 0.2205 0.5317 0.042 Uiso 1 1 calc R U . . .
C21 C 0.41101(10) 0.22725(11) 0.64343(10) 0.0306(3) Uani 1 1 d . . . . .
H21 H 0.4425 0.1724 0.6500 0.037 Uiso 1 1 calc R U . . .
C22 C 0.40935(9) 0.27812(11) 0.70522(10) 0.0274(3) Uani 1 1 d . . . . .
H22 H 0.4393 0.2570 0.7535 0.033 Uiso 1 1 calc R U . . .
C23 C 0.49756(11) 0.53502(15) 0.78874(11) 0.0168(3) Uani 0.6 1 d D . P A 1
H23 H 0.5224 0.4755 0.8169 0.020 Uiso 0.6 1 calc R U P A 1
C24 C 0.53339(17) 0.6277(2) 0.83122(16) 0.0241(5) Uani 0.6 1 d D . P A 1
H24A H 0.5281 0.6280 0.8799 0.029 Uiso 0.6 1 calc R U P A 1
H24B H 0.5862 0.6267 0.8401 0.029 Uiso 0.6 1 calc R U P A 1
C25 C 0.49934(15) 0.72113(17) 0.78898(15) 0.0295(5) Uani 0.6 1 d D . P A 1
H25A H 0.4482 0.7266 0.7859 0.035 Uiso 0.6 1 calc R U P A 1
H25B H 0.5265 0.7789 0.8164 0.035 Uiso 0.6 1 calc R U P A 1
C23' C 0.53987(15) 0.5452(2) 0.77651(17) 0.0206(6) Uani 0.4 1 d D . P B 2
H23' H 0.5488 0.4866 0.8097 0.025 Uiso 0.4 1 calc R U P B 2
C24' C 0.5574(3) 0.6382(3) 0.8240(2) 0.0272(8) Uani 0.4 1 d D . P B 2
H24C H 0.5290 0.6381 0.8566 0.033 Uiso 0.4 1 calc R U P B 2
H24D H 0.6099 0.6384 0.8558 0.033 Uiso 0.4 1 calc R U P B 2
C25' C 0.53947(18) 0.7307(3) 0.7762(2) 0.0350(9) Uani 0.4 1 d D . P B 2
H25C H 0.5489 0.7893 0.8086 0.042 Uiso 0.4 1 calc R U P B 2
H25D H 0.5716 0.7344 0.7474 0.042 Uiso 0.4 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C2 2.1934(14) . ?
Ru1 C3 2.2025(13) . ?
Ru1 C1 2.2073(16) . ?
Ru1 C4 2.2100(13) . ?
Ru1 C6 2.2268(17) . ?
Ru1 C5 2.2343(15) . ?
Ru1 P1 2.3422(4) . ?
Ru1 Cl1 2.4142(4) . ?
Ru1 Cl2 2.4196(4) . ?
P1 N1 1.6549(13) . ?
P1 C11 1.8189(16) . ?
P1 C17 1.8326(14) . ?
N1 C23 1.503(2) . ?
N1 C23' 1.557(3) 2_656 ?
C1 C2 1.408(3) . ?
C1 C6 1.433(3) . ?
C1 C7 1.511(3) . ?
C2 C3 1.424(2) . ?
C3 C4 1.4107(19) . ?
C4 C5 1.438(2) . ?
C4 C8 1.510(2) . ?
C5 C6 1.391(3) . ?
C8 C9 1.520(3) . ?
C8 C10 1.538(3) . ?
C11 C12 1.399(2) . ?
C11 C16 1.402(2) . ?
C12 C13 1.396(3) . ?
C13 C14 1.379(4) . ?
C14 C15 1.385(3) . ?
C15 C16 1.390(2) . ?
C17 C18 1.392(3) . ?
C17 C22 1.394(2) . ?
C18 C19 1.395(3) . ?
C19 C20 1.380(3) . ?
C20 C21 1.369(3) . ?
C21 C22 1.398(2) . ?
C23 C24 1.531(3) . ?
C23 C23 1.544(4) 2_656 ?
C24 C25 1.529(4) . ?
C25 C25 1.525(5) 2_656 ?
C23' C23' 1.528(6) 2_656 ?
C23' C24' 1.529(5) . ?
C23' N1 1.557(3) 2_656 ?
C24' C25' 1.527(5) . ?
C25' C25' 1.513(7) 2_656 ?

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
C2 Ru1 C3 37.79(6) . . ?
C2 Ru1 C1 37.33(7) . . ?
C3 Ru1 C1 67.95(6) . . ?
C2 Ru1 C4 68.03(6) . . ?
C3 Ru1 C4 37.29(5) . . ?
C1 Ru1 C4 81.00(6) . . ?
C2 Ru1 C6 66.88(6) . . ?
C3 Ru1 C6 78.93(6) . . ?
C1 Ru1 C6 37.71(7) . . ?
C4 Ru1 C6 67.30(6) . . ?
C2 Ru1 C5 79.06(6) . . ?
C3 Ru1 C5 66.85(5) . . ?
C1 Ru1 C5 67.30(7) . . ?
C4 Ru1 C5 37.75(6) . . ?
C6 Ru1 C5 36.33(7) . . ?
C2 Ru1 P1 93.67(5) . . ?
C3 Ru1 P1 96.20(4) . . ?
C1 Ru1 P1 116.95(5) . . ?
C4 Ru1 P1 122.59(4) . . ?
C6 Ru1 P1 154.21(5) . . ?
C5 Ru1 P1 160.34(4) . . ?
C2 Ru1 Cl1 119.81(5) . . ?
C3 Ru1 Cl1 157.47(4) . . ?
C1 Ru1 Cl1 90.91(5) . . ?
C4 Ru1 Cl1 150.60(4) . . ?
C6 Ru1 Cl1 89.09(5) . . ?
C5 Ru1 Cl1 113.21(4) . . ?
P1 Ru1 Cl1 86.294(13) . . ?
C2 Ru1 Cl2 152.74(5) . . ?
C3 Ru1 Cl2 115.07(4) . . ?
C1 Ru1 Cl2 156.67(5) . . ?
C4 Ru1 Cl2 89.12(4) . . ?
C6 Ru1 Cl2 118.97(5) . . ?
C5 Ru1 Cl2 92.05(5) . . ?
P1 Ru1 Cl2 86.180(13) . . ?
Cl1 Ru1 Cl2 87.411(13) . . ?
N1 P1 C11 106.06(8) . . ?
N1 P1 C17 106.79(7) . . ?
C11 P1 C17 104.60(7) . . ?
N1 P1 Ru1 110.48(5) . . ?
C11 P1 Ru1 113.39(5) . . ?
C17 P1 Ru1 114.90(5) . . ?
C23 N1 P1 129.28(12) . . ?
C23' N1 P1 123.77(14) 2_656 . ?
C2 C1 C6 118.05(16) . . ?
C2 C1 C7 121.66(19) . . ?
C6 C1 C7 120.29(19) . . ?
C2 C1 Ru1 70.80(9) . . ?
C6 C1 Ru1 71.89(9) . . ?
C7 C1 Ru1 128.46(13) . . ?
C1 C2 C3 120.97(14) . . ?
C1 C2 Ru1 71.87(9) . . ?
C3 C2 Ru1 71.45(8) . . ?
C4 C3 C2 120.72(14) . . ?
C4 C3 Ru1 71.64(7) . . ?
C2 C3 Ru1 70.76(8) . . ?
C3 C4 C5 118.18(14) . . ?
C3 C4 C8 122.30(14) . . ?
C5 C4 C8 119.42(13) . . ?
C3 C4 Ru1 71.06(7) . . ?
C5 C4 Ru1 72.04(8) . . ?
C8 C4 Ru1 131.13(11) . . ?
C6 C5 C4 120.69(14) . . ?
C6 C5 Ru1 71.54(9) . . ?
C4 C5 Ru1 70.21(8) . . ?
C5 C6 C1 121.28(16) . . ?
C5 C6 Ru1 72.13(9) . . ?
C1 C6 Ru1 70.41(10) . . ?
C4 C8 C9 114.33(13) . . ?
C4 C8 C10 108.33(16) . . ?
C9 C8 C10 111.16(17) . . ?
C12 C11 C16 118.58(16) . . ?
C12 C11 P1 120.04(13) . . ?
C16 C11 P1 121.05(12) . . ?
C13 C12 C11 120.57(18) . . ?
C14 C13 C12 120.01(19) . . ?
C13 C14 C15 120.18(19) . . ?
C14 C15 C16 120.29(18) . . ?
C15 C16 C11 120.35(16) . . ?
C18 C17 C22 118.32(14) . . ?
C18 C17 P1 118.46(11) . . ?
C22 C17 P1 123.01(13) . . ?
C17 C18 C19 120.63(17) . . ?
C20 C19 C18 120.3(2) . . ?
C21 C20 C19 119.81(15) . . ?
C20 C21 C22 120.46(15) . . ?
C17 C22 C21 120.51(16) . . ?
N1 C23 C24 110.75(17) . . ?
N1 C23 C23 106.5(2) . 2_656 ?
C24 C23 C23 110.08(15) . 2_656 ?
C25 C24 C23 111.9(2) . . ?
C25 C25 C24 111.59(17) 2_656 . ?
C23' C23' C24' 110.7(2) 2_656 . ?
C23' C23' N1 103.0(3) 2_656 2_656 ?
C24' C23' N1 115.8(3) . 2_656 ?
C25' C24' C23' 111.6(3) . . ?
C25' C25' C24' 111.0(3) 2_656 . ?

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
C11 P1 N1 C23 48.94(18) . . . . ?
C17 P1 N1 C23 -62.21(19) . . . . ?
Ru1 P1 N1 C23 172.20(15) . . . . ?
C11 P1 N1 C23' 107.82(18) . . . 2_656 ?
C17 P1 N1 C23' -3.3(2) . . . 2_656 ?
Ru1 P1 N1 C23' -128.91(16) . . . 2_656 ?
C6 C1 C2 C3 -2.0(2) . . . . ?
C7 C1 C2 C3 178.06(16) . . . . ?
Ru1 C1 C2 C3 54.07(13) . . . . ?
C6 C1 C2 Ru1 -56.04(13) . . . . ?
C7 C1 C2 Ru1 123.99(17) . . . . ?
C1 C2 C3 C4 -0.8(2) . . . . ?
Ru1 C2 C3 C4 53.46(12) . . . . ?
C1 C2 C3 Ru1 -54.26(13) . . . . ?
C2 C3 C4 C5 3.3(2) . . . . ?
Ru1 C3 C4 C5 56.38(11) . . . . ?
C2 C3 C4 C8 179.65(14) . . . . ?
Ru1 C3 C4 C8 -127.29(14) . . . . ?
C2 C3 C4 Ru1 -53.06(12) . . . . ?
C3 C4 C5 C6 -3.1(2) . . . . ?
C8 C4 C5 C6 -179.55(14) . . . . ?
Ru1 C4 C5 C6 52.78(13) . . . . ?
C3 C4 C5 Ru1 -55.90(11) . . . . ?
C8 C4 C5 Ru1 127.67(13) . . . . ?
C4 C5 C6 C1 0.4(2) . . . . ?
Ru1 C5 C6 C1 52.54(14) . . . . ?
C4 C5 C6 Ru1 -52.18(13) . . . . ?
C2 C1 C6 C5 2.2(2) . . . . ?
C7 C1 C6 C5 -177.84(16) . . . . ?
Ru1 C1 C6 C5 -53.31(14) . . . . ?
C2 C1 C6 Ru1 55.50(13) . . . . ?
C7 C1 C6 Ru1 -124.53(16) . . . . ?
C3 C4 C8 C9 29.9(2) . . . . ?
C5 C4 C8 C9 -153.83(16) . . . . ?
Ru1 C4 C8 C9 -62.5(2) . . . . ?
C3 C4 C8 C10 -94.66(19) . . . . ?
C5 C4 C8 C10 81.62(19) . . . . ?
Ru1 C4 C8 C10 172.91(14) . . . . ?
N1 P1 C11 C12 20.71(14) . . . . ?
C17 P1 C11 C12 133.38(12) . . . . ?
Ru1 P1 C11 C12 -100.70(12) . . . . ?
N1 P1 C11 C16 -166.07(11) . . . . ?
C17 P1 C11 C16 -53.40(13) . . . . ?
Ru1 P1 C11 C16 72.52(12) . . . . ?
C16 C11 C12 C13 -0.3(2) . . . . ?
P1 C11 C12 C13 173.06(13) . . . . ?
C11 C12 C13 C14 -1.1(3) . . . . ?
C12 C13 C14 C15 1.6(3) . . . . ?
C13 C14 C15 C16 -0.6(3) . . . . ?
C14 C15 C16 C11 -0.9(2) . . . . ?
C12 C11 C16 C15 1.3(2) . . . . ?
P1 C11 C16 C15 -172.00(11) . . . . ?
N1 P1 C17 C18 -77.46(16) . . . . ?
C11 P1 C17 C18 170.39(14) . . . . ?
Ru1 P1 C17 C18 45.42(15) . . . . ?
N1 P1 C17 C22 97.14(13) . . . . ?
C11 P1 C17 C22 -15.01(14) . . . . ?
Ru1 P1 C17 C22 -139.98(11) . . . . ?
C22 C17 C18 C19 -0.1(3) . . . . ?
P1 C17 C18 C19 174.80(18) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C19 C20 C21 C22 0.9(3) . . . . ?
C18 C17 C22 C21 0.4(2) . . . . ?
P1 C17 C22 C21 -174.18(12) . . . . ?
C20 C21 C22 C17 -0.9(2) . . . . ?
P1 N1 C23 C24 -145.80(17) . . . . ?
P1 N1 C23 C23 94.53(15) . . . 2_656 ?
N1 C23 C24 C25 -60.8(3) . . . . ?
C23 C23 C24 C25 56.7(3) 2_656 . . . ?
C23 C24 C25 C25 -54.6(3) . . . 2_656 ?
C23' C23' C24' C25' -55.8(5) 2_656 . . . ?
N1 C23' C24' C25' 60.9(4) 2_656 . . . ?
C23' C24' C25' C25' 56.0(5) . . . 2_656 ?

_refine_diff_density_max         1.534
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.091
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_LB337_04
_database_code_depnum_ccdc_archive 'CCDC 1554203'
_audit_update_record             
;
2017-06-05 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H61 Cl7 N2 P2 Ru2'
_chemical_formula_weight         1202.23
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_H-M   P2(1)/c
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2885(16)
_cell_length_b                   36.990(7)
_cell_length_c                   13.802(2)
_cell_angle_alpha                90
_cell_angle_beta                 104.031(5)
_cell_angle_gamma                90
_cell_volume                     5095.8(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1579
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      19.00

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_F_000             2448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    1.060
_shelx_estimated_absorpt_T_min   0.920
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.745
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            8536
_diffrn_reflns_av_unetI/netI     0.2243
_diffrn_reflns_av_R_equivalents  0.1149
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       16

_diffrn_reflns_theta_min         1.617
_diffrn_reflns_theta_max         24.818
_diffrn_reflns_theta_full        24.818
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             8536
_reflns_number_gt                4072
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0786P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8536
_refine_ls_number_parameters     670
_refine_ls_number_restraints     312
_refine_ls_R_factor_all          0.1818
_refine_ls_R_factor_gt           0.0789
_refine_ls_wR_factor_ref         0.1878
_refine_ls_wR_factor_gt          0.1571
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_restrained_S_all      0.897
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.60278(8) 0.16310(2) -0.04546(7) 0.0253(3) Uani 1 1 d . . . . .
Ru2 Ru 0.55010(8) 0.07258(2) 0.43431(7) 0.0247(3) Uani 1 1 d . . . . .
Cl1 Cl 0.6609(3) 0.12478(7) 0.1005(2) 0.0339(7) Uani 1 1 d . . . . .
Cl2 Cl 0.5824(3) 0.21173(7) 0.0665(2) 0.0345(7) Uani 1 1 d . . . . .
Cl3 Cl 0.3104(3) 0.06288(7) 0.4003(2) 0.0412(8) Uani 1 1 d . . . . .
Cl4 Cl 0.5561(3) 0.07898(7) 0.6084(2) 0.0346(7) Uani 1 1 d . . . . .
P1 P 0.3828(3) 0.14621(7) -0.0495(2) 0.0241(7) Uani 1 1 d . . . . .
P2 P 0.4982(3) 0.13425(7) 0.4147(2) 0.0218(7) Uani 1 1 d . . . . .
N1 N 0.3572(7) 0.1465(2) 0.0637(6) 0.021(2) Uani 1 1 d . . . . .
H1N H 0.4271 0.1520 0.1123 0.025 Uiso 1 1 calc R U . . .
N2 N 0.4006(8) 0.1391(2) 0.2988(6) 0.025(2) Uani 1 1 d . . . . .
H2N H 0.3890 0.1199 0.2598 0.030 Uiso 1 1 calc R U . . .
C1 C 0.6266(11) 0.2006(3) -0.1636(8) 0.030(3) Uani 1 1 d . . . . .
C2 C 0.5611(11) 0.1690(3) -0.2056(8) 0.033(3) Uani 1 1 d . . . . .
H2 H 0.4758 0.1710 -0.2510 0.040 Uiso 1 1 calc R U . . .
C3 C 0.6167(11) 0.1349(3) -0.1830(8) 0.032(3) Uani 1 1 d . . . . .
H3 H 0.5728 0.1144 -0.2176 0.039 Uiso 1 1 calc R U . . .
C4 C 0.7383(10) 0.1302(3) -0.1089(8) 0.032(3) Uani 1 1 d . . . . .
C5 C 0.8098(10) 0.1618(3) -0.0696(8) 0.031(3) Uani 1 1 d . . . . .
H5 H 0.8972 0.1596 -0.0273 0.037 Uiso 1 1 calc R U . . .
C6 C 0.7527(11) 0.1966(3) -0.0926(8) 0.036(3) Uani 1 1 d . . . . .
H6 H 0.7983 0.2173 -0.0607 0.043 Uiso 1 1 calc R U . . .
C7 C 0.5692(11) 0.2378(3) -0.1880(8) 0.036(3) Uani 1 1 d . . . . .
H7A H 0.6026 0.2480 -0.2429 0.053 Uiso 1 1 calc R U . . .
H7B H 0.5963 0.2533 -0.1291 0.053 Uiso 1 1 calc R U . . .
H7C H 0.4712 0.2363 -0.2080 0.053 Uiso 1 1 calc R U . . .
C8 C 0.7969(11) 0.0941(3) -0.0810(9) 0.038(3) Uani 1 1 d . . . . .
H8 H 0.8413 0.0947 -0.0080 0.046 Uiso 1 1 calc R U . . .
C9 C 0.9055(12) 0.0866(3) -0.1368(10) 0.057(4) Uani 1 1 d . . . . .
H9A H 0.8656 0.0867 -0.2089 0.086 Uiso 1 1 calc R U . . .
H9B H 0.9459 0.0629 -0.1169 0.086 Uiso 1 1 calc R U . . .
H9C H 0.9747 0.1053 -0.1204 0.086 Uiso 1 1 calc R U . . .
C10 C 0.7005(11) 0.0627(3) -0.0984(9) 0.043(3) Uani 1 1 d . . . . .
H10A H 0.6591 0.0604 -0.1700 0.064 Uiso 1 1 calc R U . . .
H10B H 0.6307 0.0668 -0.0623 0.064 Uiso 1 1 calc R U . . .
H10C H 0.7490 0.0404 -0.0742 0.064 Uiso 1 1 calc R U . . .
C11 C 0.2508(9) 0.1745(3) -0.1208(7) 0.022(2) Uani 1 1 d . . . . .
C12 C 0.2624(10) 0.2120(3) -0.1097(8) 0.028(3) Uani 1 1 d . . . . .
H12 H 0.3449 0.2216 -0.0721 0.034 Uiso 1 1 calc R U . . .
C13 C 0.1595(10) 0.2359(3) -0.1509(8) 0.029(3) Uani 1 1 d . . . . .
H13 H 0.1703 0.2613 -0.1407 0.035 Uiso 1 1 calc R U . . .
C14 C 0.0396(11) 0.2214(3) -0.2077(8) 0.033(3) Uani 1 1 d . . . . .
H14 H -0.0315 0.2371 -0.2382 0.039 Uiso 1 1 calc R U . . .
C15 C 0.0232(11) 0.1840(3) -0.2201(8) 0.029(3) Uani 1 1 d . . . . .
H15 H -0.0595 0.1742 -0.2568 0.035 Uiso 1 1 calc R U . . .
C16 C 0.1283(10) 0.1617(3) -0.1785(8) 0.033(3) Uani 1 1 d . . . . .
H16 H 0.1175 0.1364 -0.1893 0.039 Uiso 1 1 calc R U . . .
C17 C 0.3415(10) 0.1010(3) -0.1018(7) 0.022(2) Uani 1 1 d . . . . .
C18 C 0.3215(10) 0.0948(3) -0.2022(8) 0.031(3) Uani 1 1 d . . . . .
H18 H 0.3196 0.1148 -0.2459 0.037 Uiso 1 1 calc R U . . .
C19 C 0.3037(10) 0.0600(3) -0.2420(10) 0.040(3) Uani 1 1 d . . . . .
H19 H 0.2940 0.0558 -0.3113 0.048 Uiso 1 1 calc R U . . .
C20 C 0.3009(11) 0.0317(3) -0.1766(11) 0.052(4) Uani 1 1 d . . . . .
H20 H 0.2836 0.0079 -0.2022 0.062 Uiso 1 1 calc R U . . .
C21 C 0.3224(12) 0.0374(3) -0.0765(10) 0.046(3) Uani 1 1 d . . . . .
H21 H 0.3240 0.0175 -0.0327 0.055 Uiso 1 1 calc R U . . .
C22 C 0.3416(11) 0.0717(3) -0.0389(8) 0.035(3) Uani 1 1 d . . . . .
H22 H 0.3551 0.0755 0.0309 0.042 Uiso 1 1 calc R U . . .
C23 C 0.2336(9) 0.1388(2) 0.0940(8) 0.023(3) Uani 1 1 d . . . . .
H23A H 0.2381 0.1139 0.1209 0.028 Uiso 1 1 calc R U . . .
H23B H 0.1574 0.1399 0.0344 0.028 Uiso 1 1 calc R U . . .
C24 C 0.2073(10) 0.1655(3) 0.1738(7) 0.024(3) Uani 1 1 d . . . . .
C25 C 0.3348(9) 0.1716(3) 0.2580(7) 0.025(3) Uani 1 1 d . . . . .
H25A H 0.3984 0.1865 0.2315 0.030 Uiso 1 1 calc R U . . .
H25B H 0.3104 0.1855 0.3123 0.030 Uiso 1 1 calc R U . . .
C26 C 0.0959(9) 0.1497(3) 0.2180(7) 0.029(3) Uani 1 1 d . . . . .
H26A H 0.0145 0.1464 0.1647 0.044 Uiso 1 1 calc R U . . .
H26B H 0.0774 0.1663 0.2684 0.044 Uiso 1 1 calc R U . . .
H26C H 0.1250 0.1263 0.2491 0.044 Uiso 1 1 calc R U . . .
C27 C 0.1619(10) 0.2013(3) 0.1228(8) 0.032(3) Uani 1 1 d . . . . .
H27A H 0.2227 0.2083 0.0814 0.048 Uiso 1 1 calc R U . . .
H27B H 0.1627 0.2199 0.1735 0.048 Uiso 1 1 calc R U . . .
H27C H 0.0708 0.1987 0.0807 0.048 Uiso 1 1 calc R U . . .
C28 C 0.4098(9) 0.1588(3) 0.4954(8) 0.025(3) Uani 1 1 d . . . . .
C29 C 0.3076(10) 0.1412(3) 0.5274(8) 0.028(3) Uani 1 1 d . . . . .
H29 H 0.2924 0.1161 0.5141 0.034 Uiso 1 1 calc R U . . .
C30 C 0.2264(10) 0.1603(3) 0.5795(8) 0.029(3) Uani 1 1 d . . . . .
H30 H 0.1560 0.1484 0.6004 0.035 Uiso 1 1 calc R U . . .
C31 C 0.2511(10) 0.1962(3) 0.5989(7) 0.027(3) Uani 1 1 d . . . . .
H31 H 0.1987 0.2093 0.6351 0.033 Uiso 1 1 calc R U . . .
C32 C 0.3514(10) 0.2138(3) 0.5666(8) 0.028(3) Uani 1 1 d . . . . .
H32 H 0.3654 0.2389 0.5788 0.034 Uiso 1 1 calc R U . . .
C33 C 0.4286(10) 0.1958(3) 0.5183(8) 0.028(3) Uani 1 1 d . . . . .
H33 H 0.4987 0.2083 0.4987 0.033 Uiso 1 1 calc R U . . .
C34 C 0.6421(10) 0.1625(3) 0.4157(8) 0.024(2) Uani 1 1 d . . . . .
C35 C 0.7237(10) 0.1747(3) 0.5069(9) 0.032(3) Uani 1 1 d . . . . .
H35 H 0.6988 0.1699 0.5676 0.039 Uiso 1 1 calc R U . . .
C36 C 0.8417(10) 0.1939(3) 0.5085(9) 0.033(3) Uani 1 1 d . . . . .
H36 H 0.8967 0.2023 0.5700 0.040 Uiso 1 1 calc R U . . .
C37 C 0.8774(11) 0.2005(3) 0.4200(10) 0.039(3) Uani 1 1 d . . . . .
H37 H 0.9586 0.2130 0.4216 0.047 Uiso 1 1 calc R U . . .
C38 C 0.7959(11) 0.1893(3) 0.3270(9) 0.038(3) Uani 1 1 d . . . . .
H38 H 0.8203 0.1944 0.2663 0.046 Uiso 1 1 calc R U . . .
C39 C 0.6802(10) 0.1706(3) 0.3272(8) 0.030(3) Uani 1 1 d . . . . .
H39 H 0.6243 0.1630 0.2653 0.036 Uiso 1 1 calc R U . . .
C40 C 0.545(2) 0.0295(6) 0.3200(15) 0.025(4) Uani 0.512(11) 1 d D U P A 1
C41 C 0.585(2) 0.0622(6) 0.2825(13) 0.026(4) Uani 0.512(11) 1 d D U P A 1
H41 H 0.5385 0.0709 0.2187 0.031 Uiso 0.512(11) 1 calc R U P A 1
C42 C 0.694(2) 0.0818(4) 0.3406(18) 0.025(4) Uani 0.512(11) 1 d D U P A 1
H42 H 0.7227 0.1031 0.3130 0.029 Uiso 0.512(11) 1 calc R U P A 1
C43 C 0.7616(17) 0.0714(6) 0.4365(16) 0.026(4) Uani 0.512(11) 1 d D U P A 1
C44 C 0.7228(19) 0.0374(6) 0.4717(12) 0.020(4) Uani 0.512(11) 1 d D U P A 1
H44 H 0.7721 0.0283 0.5342 0.025 Uiso 0.512(11) 1 calc R U P A 1
C45 C 0.616(2) 0.0175(5) 0.4172(15) 0.023(4) Uani 0.512(11) 1 d D U P A 1
H45 H 0.5890 -0.0041 0.4443 0.027 Uiso 0.512(11) 1 calc R U P A 1
C46 C 0.4316(15) 0.0076(5) 0.2582(14) 0.024(5) Uani 0.512(11) 1 d D U P A 1
H46A H 0.3749 0.0232 0.2077 0.036 Uiso 0.512(11) 1 calc R U P A 1
H46B H 0.3782 -0.0025 0.3016 0.036 Uiso 0.512(11) 1 calc R U P A 1
H46C H 0.4678 -0.0121 0.2251 0.036 Uiso 0.512(11) 1 calc R U P A 1
C47 C 0.8876(16) 0.0908(4) 0.4924(12) 0.036(4) Uani 0.512(11) 1 d D U P A 1
H47 H 0.8818 0.1162 0.4667 0.043 Uiso 0.512(11) 1 calc R U P A 1
C48 C 0.899(2) 0.0930(7) 0.6055(16) 0.041(7) Uani 0.512(11) 1 d D U P A 1
H48A H 0.8134 0.1016 0.6170 0.061 Uiso 0.512(11) 1 calc R U P A 1
H48B H 0.9703 0.1099 0.6362 0.061 Uiso 0.512(11) 1 calc R U P A 1
H48C H 0.9187 0.0690 0.6354 0.061 Uiso 0.512(11) 1 calc R U P A 1
C49 C 1.0110(18) 0.0746(7) 0.4723(17) 0.050(6) Uani 0.512(11) 1 d D U P A 1
H49A H 1.0178 0.0492 0.4934 0.075 Uiso 0.512(11) 1 calc R U P A 1
H49B H 1.0897 0.0879 0.5097 0.075 Uiso 0.512(11) 1 calc R U P A 1
H49C H 1.0066 0.0760 0.4007 0.075 Uiso 0.512(11) 1 calc R U P A 1
C40' C 0.551(2) 0.0386(6) 0.3041(14) 0.022(4) Uani 0.488(11) 1 d D U P A 2
C41' C 0.631(2) 0.0699(5) 0.3076(14) 0.023(4) Uani 0.488(11) 1 d D U P A 2
H41' H 0.6116 0.0869 0.2542 0.027 Uiso 0.488(11) 1 calc R U P A 2
C42' C 0.740(2) 0.0759(5) 0.3910(18) 0.017(4) Uani 0.488(11) 1 d D U P A 2
H42' H 0.7979 0.0957 0.3895 0.021 Uiso 0.488(11) 1 calc R U P A 2
C43' C 0.7646(16) 0.0539(6) 0.4751(14) 0.018(3) Uani 0.488(11) 1 d D U P A 2
C44' C 0.687(2) 0.0212(5) 0.4681(12) 0.017(4) Uani 0.488(11) 1 d D U P A 2
H44' H 0.7089 0.0040 0.5207 0.021 Uiso 0.488(11) 1 calc R U P A 2
C45' C 0.582(2) 0.0140(5) 0.3867(16) 0.021(4) Uani 0.488(11) 1 d D U P A 2
H45' H 0.5292 -0.0072 0.3857 0.025 Uiso 0.488(11) 1 calc R U P A 2
C46' C 0.4377(17) 0.0309(6) 0.2149(12) 0.023(5) Uani 0.488(11) 1 d D U P A 2
H46D H 0.3976 0.0538 0.1864 0.035 Uiso 0.488(11) 1 calc R U P A 2
H46E H 0.3698 0.0163 0.2357 0.035 Uiso 0.488(11) 1 calc R U P A 2
H46F H 0.4717 0.0177 0.1647 0.035 Uiso 0.488(11) 1 calc R U P A 2
C47' C 0.8853(15) 0.0593(4) 0.5623(11) 0.028(4) Uani 0.488(11) 1 d D U P A 2
H47' H 0.8594 0.0499 0.6229 0.033 Uiso 0.488(11) 1 calc R U P A 2
C48' C 1.0065(19) 0.0368(7) 0.5507(17) 0.052(6) Uani 0.488(11) 1 d D U P A 2
H48D H 0.9961 0.0118 0.5711 0.078 Uiso 0.488(11) 1 calc R U P A 2
H48E H 1.0887 0.0471 0.5930 0.078 Uiso 0.488(11) 1 calc R U P A 2
H48F H 1.0118 0.0372 0.4808 0.078 Uiso 0.488(11) 1 calc R U P A 2
C49' C 0.922(2) 0.0979(6) 0.5823(19) 0.038(7) Uani 0.488(11) 1 d D U P A 2
H49D H 0.9180 0.1104 0.5190 0.057 Uiso 0.488(11) 1 calc R U P A 2
H49E H 1.0135 0.0995 0.6246 0.057 Uiso 0.488(11) 1 calc R U P A 2
H49F H 0.8597 0.1093 0.6164 0.057 Uiso 0.488(11) 1 calc R U P A 2
C1S C 0.0473(11) 0.0394(3) 0.2028(10) 0.055(4) Uani 1 1 d . . . . .
H1S H 0.1198 0.0537 0.2482 0.065 Uiso 1 1 calc R U . . .
Cl1S Cl -0.1033(3) 0.06333(9) 0.1899(3) 0.0604(10) Uani 1 1 d . . . . .
Cl2S Cl 0.0866(3) 0.03638(13) 0.0881(3) 0.0897(15) Uani 1 1 d . . . . .
Cl3S Cl 0.0393(4) -0.00252(10) 0.2576(4) 0.1140(19) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C2 2.158(11) . ?
Ru1 C4 2.187(11) . ?
Ru1 C6 2.196(10) . ?
Ru1 C3 2.200(10) . ?
Ru1 C1 2.201(10) . ?
Ru1 C5 2.235(9) . ?
Ru1 P1 2.336(3) . ?
Ru1 Cl2 2.414(3) . ?
Ru1 Cl1 2.416(3) . ?
Ru2 C41' 2.11(2) . ?
Ru2 C44 2.161(18) . ?
Ru2 C43 2.169(19) . ?
Ru2 C42' 2.178(19) . ?
Ru2 C45 2.18(2) . ?
Ru2 C40' 2.19(3) . ?
Ru2 C42 2.217(18) . ?
Ru2 C40 2.24(2) . ?
Ru2 C41 2.24(2) . ?
Ru2 C43' 2.250(17) . ?
Ru2 C45' 2.31(2) . ?
Ru2 P2 2.344(3) . ?
P1 N1 1.646(8) . ?
P1 C11 1.805(10) . ?
P1 C17 1.830(10) . ?
P2 N2 1.680(8) . ?
P2 C34 1.809(10) . ?
P2 C28 1.839(11) . ?
N1 C23 1.459(11) . ?
N2 C25 1.428(11) . ?
C1 C2 1.403(14) . ?
C1 C6 1.432(14) . ?
C1 C7 1.501(13) . ?
C2 C3 1.388(13) . ?
C3 C4 1.422(14) . ?
C4 C5 1.416(14) . ?
C4 C8 1.478(14) . ?
C5 C6 1.418(14) . ?
C8 C10 1.509(14) . ?
C8 C9 1.529(14) . ?
C11 C12 1.399(13) . ?
C11 C16 1.400(13) . ?
C12 C13 1.391(13) . ?
C13 C14 1.399(14) . ?
C14 C15 1.400(14) . ?
C15 C16 1.371(14) . ?
C17 C18 1.371(14) . ?
C17 C22 1.390(13) . ?
C18 C19 1.396(14) . ?
C19 C20 1.385(16) . ?
C20 C21 1.362(16) . ?
C21 C22 1.366(14) . ?
C23 C24 1.552(13) . ?
C24 C27 1.519(13) . ?
C24 C26 1.538(13) . ?
C24 C25 1.543(13) . ?
C28 C29 1.396(13) . ?
C28 C33 1.407(13) . ?
C29 C30 1.417(13) . ?
C30 C31 1.366(13) . ?
C31 C32 1.382(14) . ?
C32 C33 1.333(13) . ?
C34 C39 1.403(14) . ?
C34 C35 1.408(14) . ?
C35 C36 1.402(13) . ?
C36 C37 1.380(15) . ?
C37 C38 1.415(15) . ?
C38 C39 1.376(14) . ?
C40 C41 1.414(18) . ?
C40 C45 1.432(17) . ?
C40 C46 1.506(15) . ?
C41 C42 1.41(2) . ?
C42 C43 1.39(2) . ?
C43 C44 1.44(2) . ?
C43 C47 1.519(19) . ?
C44 C45 1.386(19) . ?
C47 C49 1.49(2) . ?
C47 C48 1.54(2) . ?
C40' C41' 1.413(18) . ?
C40' C45' 1.433(17) . ?
C40' C46' 1.505(15) . ?
C41' C42' 1.42(2) . ?
C42' C43' 1.39(2) . ?
C43' C44' 1.44(2) . ?
C43' C47' 1.517(18) . ?
C44' C45' 1.385(19) . ?
C47' C49' 1.49(2) . ?
C47' C48' 1.54(2) . ?
C1S Cl2S 1.730(13) . ?
C1S Cl3S 1.737(12) . ?
C1S Cl1S 1.756(11) . ?

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
C2 Ru1 C4 68.5(4) . . ?
C2 Ru1 C6 67.6(4) . . ?
C4 Ru1 C6 68.5(4) . . ?
C2 Ru1 C3 37.1(4) . . ?
C4 Ru1 C3 37.8(4) . . ?
C6 Ru1 C3 79.3(4) . . ?
C2 Ru1 C1 37.5(4) . . ?
C4 Ru1 C1 81.8(4) . . ?
C6 Ru1 C1 38.0(4) . . ?
C3 Ru1 C1 67.5(4) . . ?
C2 Ru1 C5 79.0(4) . . ?
C4 Ru1 C5 37.3(4) . . ?
C6 Ru1 C5 37.3(4) . . ?
C3 Ru1 C5 66.2(4) . . ?
C1 Ru1 C5 67.8(4) . . ?
C2 Ru1 P1 93.0(3) . . ?
C4 Ru1 P1 123.4(3) . . ?
C6 Ru1 P1 152.9(3) . . ?
C3 Ru1 P1 96.8(3) . . ?
C1 Ru1 P1 115.6(3) . . ?
C5 Ru1 P1 160.7(3) . . ?
C2 Ru1 Cl2 123.6(3) . . ?
C4 Ru1 Cl2 146.5(3) . . ?
C6 Ru1 Cl2 86.9(3) . . ?
C3 Ru1 Cl2 159.9(3) . . ?
C1 Ru1 Cl2 92.7(3) . . ?
C5 Ru1 Cl2 110.2(3) . . ?
P1 Ru1 Cl2 88.89(10) . . ?
C2 Ru1 Cl1 149.4(3) . . ?
C4 Ru1 Cl1 87.4(3) . . ?
C6 Ru1 Cl1 121.9(3) . . ?
C3 Ru1 Cl1 112.7(3) . . ?
C1 Ru1 Cl1 159.8(3) . . ?
C5 Ru1 Cl1 93.4(3) . . ?
P1 Ru1 Cl1 84.59(9) . . ?
Cl2 Ru1 Cl1 86.90(10) . . ?
C44 Ru2 C43 38.8(6) . . ?
C41' Ru2 C42' 38.5(6) . . ?
C44 Ru2 C45 37.3(5) . . ?
C43 Ru2 C45 69.3(7) . . ?
C41' Ru2 C40' 38.2(6) . . ?
C42' Ru2 C40' 68.0(7) . . ?
C44 Ru2 C42 66.8(7) . . ?
C43 Ru2 C42 37.0(6) . . ?
C45 Ru2 C42 79.2(6) . . ?
C44 Ru2 C40 67.4(7) . . ?
C43 Ru2 C40 81.2(7) . . ?
C45 Ru2 C40 37.9(5) . . ?
C42 Ru2 C40 66.5(7) . . ?
C44 Ru2 C41 79.1(6) . . ?
C43 Ru2 C41 67.8(7) . . ?
C45 Ru2 C41 67.3(6) . . ?
C42 Ru2 C41 36.9(6) . . ?
C40 Ru2 C41 36.8(5) . . ?
C41' Ru2 C43' 68.5(7) . . ?
C42' Ru2 C43' 36.5(6) . . ?
C40' Ru2 C43' 80.2(7) . . ?
C41' Ru2 C45' 67.1(6) . . ?
C42' Ru2 C45' 77.2(7) . . ?
C40' Ru2 C45' 37.0(5) . . ?
C43' Ru2 C45' 65.6(6) . . ?
C41' Ru2 P2 94.2(5) . . ?
C44 Ru2 P2 139.9(6) . . ?
C43 Ru2 P2 102.7(6) . . ?
C42' Ru2 P2 96.1(5) . . ?
C45 Ru2 P2 165.1(5) . . ?
C40' Ru2 P2 120.6(5) . . ?
C42 Ru2 P2 87.0(5) . . ?
C40 Ru2 P2 130.3(5) . . ?
C41 Ru2 P2 98.2(5) . . ?
C43' Ru2 P2 120.6(6) . . ?
C45' Ru2 P2 157.5(5) . . ?
N1 P1 C11 104.0(4) . . ?
N1 P1 C17 107.8(4) . . ?
C11 P1 C17 104.0(4) . . ?
N1 P1 Ru1 110.6(3) . . ?
C11 P1 Ru1 117.1(3) . . ?
C17 P1 Ru1 112.6(3) . . ?
N2 P2 C34 104.1(4) . . ?
N2 P2 C28 104.8(4) . . ?
C34 P2 C28 103.6(4) . . ?
N2 P2 Ru2 106.3(3) . . ?
C34 P2 Ru2 113.5(3) . . ?
C28 P2 Ru2 122.9(3) . . ?
C23 N1 P1 128.4(7) . . ?
C25 N2 P2 125.6(7) . . ?
C2 C1 C6 117.3(10) . . ?
C2 C1 C7 123.2(10) . . ?
C6 C1 C7 119.5(10) . . ?
C2 C1 Ru1 69.6(6) . . ?
C6 C1 Ru1 70.8(6) . . ?
C7 C1 Ru1 129.4(7) . . ?
C3 C2 C1 122.3(11) . . ?
C3 C2 Ru1 73.1(6) . . ?
C1 C2 Ru1 72.9(6) . . ?
C2 C3 C4 121.1(11) . . ?
C2 C3 Ru1 69.8(6) . . ?
C4 C3 Ru1 70.6(6) . . ?
C5 C4 C3 117.3(10) . . ?
C5 C4 C8 120.3(10) . . ?
C3 C4 C8 122.0(10) . . ?
C5 C4 Ru1 73.2(6) . . ?
C3 C4 Ru1 71.6(6) . . ?
C8 C4 Ru1 131.1(8) . . ?
C4 C5 C6 120.9(10) . . ?
C4 C5 Ru1 69.5(6) . . ?
C6 C5 Ru1 69.8(6) . . ?
C5 C6 C1 120.4(10) . . ?
C5 C6 Ru1 72.8(6) . . ?
C1 C6 Ru1 71.2(6) . . ?
C4 C8 C10 116.4(9) . . ?
C4 C8 C9 109.6(9) . . ?
C10 C8 C9 108.2(10) . . ?
C12 C11 C16 116.1(9) . . ?
C12 C11 P1 118.8(7) . . ?
C16 C11 P1 124.7(8) . . ?
C13 C12 C11 123.4(10) . . ?
C12 C13 C14 117.7(10) . . ?
C13 C14 C15 120.8(10) . . ?
C16 C15 C14 119.0(10) . . ?
C15 C16 C11 123.0(10) . . ?
C18 C17 C22 118.6(10) . . ?
C18 C17 P1 121.0(8) . . ?
C22 C17 P1 120.2(8) . . ?
C17 C18 C19 121.7(11) . . ?
C20 C19 C18 117.5(12) . . ?
C21 C20 C19 121.4(12) . . ?
C20 C21 C22 120.1(11) . . ?
C21 C22 C17 120.6(11) . . ?
N1 C23 C24 113.2(8) . . ?
C27 C24 C26 109.9(8) . . ?
C27 C24 C25 109.4(8) . . ?
C26 C24 C25 109.6(8) . . ?
C27 C24 C23 108.2(8) . . ?
C26 C24 C23 108.3(8) . . ?
C25 C24 C23 111.4(8) . . ?
N2 C25 C24 114.2(8) . . ?
C29 C28 C33 117.1(9) . . ?
C29 C28 P2 118.9(8) . . ?
C33 C28 P2 123.7(8) . . ?
C28 C29 C30 120.6(9) . . ?
C31 C30 C29 118.7(9) . . ?
C30 C31 C32 120.7(10) . . ?
C33 C32 C31 120.6(10) . . ?
C32 C33 C28 122.2(10) . . ?
C39 C34 C35 118.6(10) . . ?
C39 C34 P2 121.2(8) . . ?
C35 C34 P2 120.1(8) . . ?
C36 C35 C34 120.2(10) . . ?
C37 C36 C35 119.4(11) . . ?
C36 C37 C38 121.7(10) . . ?
C39 C38 C37 117.9(11) . . ?
C38 C39 C34 122.2(11) . . ?
C41 C40 C45 118.9(12) . . ?
C41 C40 C46 120.4(16) . . ?
C45 C40 C46 120.7(16) . . ?
C41 C40 Ru2 71.9(12) . . ?
C45 C40 Ru2 68.9(12) . . ?
C46 C40 Ru2 131.7(19) . . ?
C42 C41 C40 119.5(13) . . ?
C42 C41 Ru2 70.5(11) . . ?
C40 C41 Ru2 71.3(12) . . ?
C43 C42 C41 122.8(14) . . ?
C43 C42 Ru2 69.6(11) . . ?
C41 C42 Ru2 72.5(10) . . ?
C42 C43 C44 116.6(13) . . ?
C42 C43 C47 121.3(19) . . ?
C44 C43 C47 120.9(17) . . ?
C42 C43 Ru2 73.4(10) . . ?
C44 C43 Ru2 70.3(10) . . ?
C47 C43 Ru2 136.7(12) . . ?
C45 C44 C43 122.1(14) . . ?
C45 C44 Ru2 72.0(11) . . ?
C43 C44 Ru2 70.9(10) . . ?
C44 C45 C40 119.9(13) . . ?
C44 C45 Ru2 70.7(11) . . ?
C40 C45 Ru2 73.2(13) . . ?
C49 C47 C43 112.1(13) . . ?
C49 C47 C48 110.8(12) . . ?
C43 C47 C48 112.6(13) . . ?
C41' C40' C45' 118.8(12) . . ?
C41' C40' C46' 120.8(16) . . ?
C45' C40' C46' 120.4(16) . . ?
C41' C40' Ru2 67.8(12) . . ?
C45' C40' Ru2 75.8(13) . . ?
C46' C40' Ru2 128.3(19) . . ?
C40' C41' C42' 119.5(13) . . ?
C40' C41' Ru2 74.0(14) . . ?
C42' C41' Ru2 73.2(11) . . ?
C43' C42' C41' 122.5(14) . . ?
C43' C42' Ru2 74.6(10) . . ?
C41' C42' Ru2 68.3(11) . . ?
C42' C43' C44' 116.7(13) . . ?
C42' C43' C47' 122.4(18) . . ?
C44' C43' C47' 119.7(17) . . ?
C42' C43' Ru2 68.9(10) . . ?
C44' C43' Ru2 75.3(9) . . ?
C47' C43' Ru2 136.3(11) . . ?
C45' C44' C43' 121.9(13) . . ?
C45' C44' Ru2 71.3(10) . . ?
C43' C44' Ru2 68.2(9) . . ?
C44' C45' C40' 120.0(13) . . ?
C44' C45' Ru2 74.1(11) . . ?
C40' C45' Ru2 67.2(13) . . ?
C49' C47' C43' 113.3(13) . . ?
C49' C47' C48' 111.1(13) . . ?
C43' C47' C48' 112.1(13) . . ?
Cl2S C1S Cl3S 112.7(7) . . ?
Cl2S C1S Cl1S 109.7(7) . . ?
Cl3S C1S Cl1S 111.1(7) . . ?

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
C11 P1 N1 C23 51.5(9) . . . . ?
C17 P1 N1 C23 -58.5(9) . . . . ?
Ru1 P1 N1 C23 177.9(7) . . . . ?
C34 P2 N2 C25 -66.3(9) . . . . ?
C28 P2 N2 C25 42.2(9) . . . . ?
Ru2 P2 N2 C25 173.6(7) . . . . ?
C6 C1 C2 C3 -2.3(16) . . . . ?
C7 C1 C2 C3 179.2(10) . . . . ?
Ru1 C1 C2 C3 -56.3(10) . . . . ?
C6 C1 C2 Ru1 54.0(8) . . . . ?
C7 C1 C2 Ru1 -124.5(10) . . . . ?
C1 C2 C3 C4 5.7(17) . . . . ?
Ru1 C2 C3 C4 -50.6(9) . . . . ?
C1 C2 C3 Ru1 56.2(10) . . . . ?
C2 C3 C4 C5 -8.8(15) . . . . ?
Ru1 C3 C4 C5 -59.0(9) . . . . ?
C2 C3 C4 C8 177.8(10) . . . . ?
Ru1 C3 C4 C8 127.5(10) . . . . ?
C2 C3 C4 Ru1 50.2(9) . . . . ?
C3 C4 C5 C6 8.9(16) . . . . ?
C8 C4 C5 C6 -177.5(10) . . . . ?
Ru1 C4 C5 C6 -49.2(9) . . . . ?
C3 C4 C5 Ru1 58.2(8) . . . . ?
C8 C4 C5 Ru1 -128.2(10) . . . . ?
C4 C5 C6 C1 -6.0(16) . . . . ?
Ru1 C5 C6 C1 -55.1(9) . . . . ?
C4 C5 C6 Ru1 49.1(9) . . . . ?
C2 C1 C6 C5 2.4(15) . . . . ?
C7 C1 C6 C5 -179.0(9) . . . . ?
Ru1 C1 C6 C5 55.8(9) . . . . ?
C2 C1 C6 Ru1 -53.4(9) . . . . ?
C7 C1 C6 Ru1 125.2(9) . . . . ?
C5 C4 C8 C10 161.2(10) . . . . ?
C3 C4 C8 C10 -25.5(15) . . . . ?
Ru1 C4 C8 C10 67.5(14) . . . . ?
C5 C4 C8 C9 -75.7(13) . . . . ?
C3 C4 C8 C9 97.6(12) . . . . ?
Ru1 C4 C8 C9 -169.4(8) . . . . ?
N1 P1 C11 C12 76.5(9) . . . . ?
C17 P1 C11 C12 -170.7(8) . . . . ?
Ru1 P1 C11 C12 -45.8(9) . . . . ?
N1 P1 C11 C16 -95.5(9) . . . . ?
C17 P1 C11 C16 17.3(10) . . . . ?
Ru1 P1 C11 C16 142.2(8) . . . . ?
C16 C11 C12 C13 1.2(15) . . . . ?
P1 C11 C12 C13 -171.5(8) . . . . ?
C11 C12 C13 C14 -1.2(15) . . . . ?
C12 C13 C14 C15 1.7(15) . . . . ?
C13 C14 C15 C16 -2.2(15) . . . . ?
C14 C15 C16 C11 2.3(16) . . . . ?
C12 C11 C16 C15 -1.8(15) . . . . ?
P1 C11 C16 C15 170.4(8) . . . . ?
N1 P1 C17 C18 164.0(8) . . . . ?
C11 P1 C17 C18 54.0(9) . . . . ?
Ru1 P1 C17 C18 -73.7(9) . . . . ?
N1 P1 C17 C22 -21.7(10) . . . . ?
C11 P1 C17 C22 -131.7(9) . . . . ?
Ru1 P1 C17 C22 100.6(8) . . . . ?
C22 C17 C18 C19 -1.2(16) . . . . ?
P1 C17 C18 C19 173.2(8) . . . . ?
C17 C18 C19 C20 2.9(16) . . . . ?
C18 C19 C20 C21 -3.8(17) . . . . ?
C19 C20 C21 C22 2.9(19) . . . . ?
C20 C21 C22 C17 -1.0(18) . . . . ?
C18 C17 C22 C21 0.1(16) . . . . ?
P1 C17 C22 C21 -174.3(9) . . . . ?
P1 N1 C23 C24 -137.3(7) . . . . ?
N1 C23 C24 C27 74.5(10) . . . . ?
N1 C23 C24 C26 -166.4(8) . . . . ?
N1 C23 C24 C25 -45.7(11) . . . . ?
P2 N2 C25 C24 -153.9(7) . . . . ?
C27 C24 C25 N2 -168.9(8) . . . . ?
C26 C24 C25 N2 70.5(11) . . . . ?
C23 C24 C25 N2 -49.4(11) . . . . ?
N2 P2 C28 C29 83.6(8) . . . . ?
C34 P2 C28 C29 -167.5(8) . . . . ?
Ru2 P2 C28 C29 -37.4(9) . . . . ?
N2 P2 C28 C33 -89.1(9) . . . . ?
C34 P2 C28 C33 19.8(10) . . . . ?
Ru2 P2 C28 C33 149.9(7) . . . . ?
C33 C28 C29 C30 0.8(14) . . . . ?
P2 C28 C29 C30 -172.4(8) . . . . ?
C28 C29 C30 C31 -0.9(15) . . . . ?
C29 C30 C31 C32 1.4(15) . . . . ?
C30 C31 C32 C33 -2.0(15) . . . . ?
C31 C32 C33 C28 2.0(15) . . . . ?
C29 C28 C33 C32 -1.4(15) . . . . ?
P2 C28 C33 C32 171.4(8) . . . . ?
N2 P2 C34 C39 -25.3(9) . . . . ?
C28 P2 C34 C39 -134.6(8) . . . . ?
Ru2 P2 C34 C39 89.9(8) . . . . ?
N2 P2 C34 C35 159.3(8) . . . . ?
C28 P2 C34 C35 49.9(9) . . . . ?
Ru2 P2 C34 C35 -85.6(8) . . . . ?
C39 C34 C35 C36 -1.2(15) . . . . ?
P2 C34 C35 C36 174.4(8) . . . . ?
C34 C35 C36 C37 -0.4(16) . . . . ?
C35 C36 C37 C38 1.7(16) . . . . ?
C36 C37 C38 C39 -1.3(16) . . . . ?
C37 C38 C39 C34 -0.3(15) . . . . ?
C35 C34 C39 C38 1.6(15) . . . . ?
P2 C34 C39 C38 -173.9(8) . . . . ?
C45 C40 C41 C42 1(4) . . . . ?
C46 C40 C41 C42 -178(2) . . . . ?
Ru2 C40 C41 C42 53.4(19) . . . . ?
C45 C40 C41 Ru2 -52(2) . . . . ?
C46 C40 C41 Ru2 128(3) . . . . ?
C40 C41 C42 C43 -3(3) . . . . ?
Ru2 C41 C42 C43 50.4(18) . . . . ?
C40 C41 C42 Ru2 -54(2) . . . . ?
C41 C42 C43 C44 5(3) . . . . ?
Ru2 C42 C43 C44 57.1(15) . . . . ?
C41 C42 C43 C47 173.3(18) . . . . ?
Ru2 C42 C43 C47 -135.0(16) . . . . ?
C41 C42 C43 Ru2 -51.7(18) . . . . ?
C42 C43 C44 C45 -6(3) . . . . ?
C47 C43 C44 C45 -173.7(19) . . . . ?
Ru2 C43 C44 C45 53.0(19) . . . . ?
C42 C43 C44 Ru2 -58.7(16) . . . . ?
C47 C43 C44 Ru2 133.4(16) . . . . ?
C43 C44 C45 C40 4(3) . . . . ?
Ru2 C44 C45 C40 56(2) . . . . ?
C43 C44 C45 Ru2 -52.5(18) . . . . ?
C41 C40 C45 C44 -2(4) . . . . ?
C46 C40 C45 C44 178(2) . . . . ?
Ru2 C40 C45 C44 -55(2) . . . . ?
C41 C40 C45 Ru2 54(2) . . . . ?
C46 C40 C45 Ru2 -127(3) . . . . ?
C42 C43 C47 C49 -89(2) . . . . ?
C44 C43 C47 C49 78(2) . . . . ?
Ru2 C43 C47 C49 172(2) . . . . ?
C42 C43 C47 C48 145.1(19) . . . . ?
C44 C43 C47 C48 -48(2) . . . . ?
Ru2 C43 C47 C48 46(2) . . . . ?
C45' C40' C41' C42' 1(4) . . . . ?
C46' C40' C41' C42' -178(2) . . . . ?
Ru2 C40' C41' C42' 59.5(19) . . . . ?
C45' C40' C41' Ru2 -58(2) . . . . ?
C46' C40' C41' Ru2 122(3) . . . . ?
C40' C41' C42' C43' -6(3) . . . . ?
Ru2 C41' C42' C43' 53.6(18) . . . . ?
C40' C41' C42' Ru2 -60(2) . . . . ?
C41' C42' C43' C44' 9(3) . . . . ?
Ru2 C42' C43' C44' 60.2(14) . . . . ?
C41' C42' C43' C47' 176.8(19) . . . . ?
Ru2 C42' C43' C47' -132.3(15) . . . . ?
C41' C42' C43' Ru2 -50.9(18) . . . . ?
C42' C43' C44' C45' -8(3) . . . . ?
C47' C43' C44' C45' -175.7(18) . . . . ?
Ru2 C43' C44' C45' 49.0(18) . . . . ?
C42' C43' C44' Ru2 -56.8(14) . . . . ?
C47' C43' C44' Ru2 135.3(15) . . . . ?
C43' C44' C45' C40' 3(3) . . . . ?
Ru2 C44' C45' C40' 51(2) . . . . ?
C43' C44' C45' Ru2 -47.7(17) . . . . ?
C41' C40' C45' C44' 0(4) . . . . ?
C46' C40' C45' C44' 179(2) . . . . ?
Ru2 C40' C45' C44' -54(2) . . . . ?
C41' C40' C45' Ru2 54(2) . . . . ?
C46' C40' C45' Ru2 -126(3) . . . . ?
C42' C43' C47' C49' 35(2) . . . . ?
C44' C43' C47' C49' -157.5(18) . . . . ?
Ru2 C43' C47' C49' -57(2) . . . . ?
C42' C43' C47' C48' -91(2) . . . . ?
C44' C43' C47' C48' 75.8(19) . . . . ?
Ru2 C43' C47' C48' 176(2) . . . . ?

_refine_diff_density_max         1.414
_refine_diff_density_min         -1.865
_refine_diff_density_rms         0.172
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_LB96_0m
_database_code_depnum_ccdc_archive 'CCDC 1552925'
_audit_update_record             
;
2017-05-29 deposited with the CCDC.
2017-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C75 H86 B2 Cl2 F8 N2 O P4 Ru2'
_chemical_formula_weight         1601.99
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Orthorhombic
_space_group_IT_number           19
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.3175(8)
_cell_length_b                   19.2105(12)
_cell_length_c                   36.437(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7221.9(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9896
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      29.63

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_F_000             3288
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    0.647
_shelx_estimated_absorpt_T_min   0.881
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            130627
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_theta_min         1.540
_diffrn_reflns_theta_max         30.168
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             19482
_reflns_number_gt                18477
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.782
_reflns_Friedel_fraction_max     0.879
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    Sir2011
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+2.2424P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 7775 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_chemical_absolute_configuration ad
_refine_ls_abs_structure_Flack   -0.022(5)
_refine_ls_number_reflns         19482
_refine_ls_number_parameters     993
_refine_ls_number_restraints     471
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0540
_refine_ls_wR_factor_gt          0.0527
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ru1A Ru 0.24272(2) 0.68541(2) 0.18144(2) 0.01203(4) Uani 1 1 d . . . . .
Cl1A Cl 0.23688(6) 0.79951(3) 0.20759(2) 0.01725(12) Uani 1 1 d . . . . .
P1A P 0.18361(6) 0.65271(3) 0.23995(2) 0.01165(12) Uani 1 1 d . . . . .
P2A P 0.42226(6) 0.66737(3) 0.21846(2) 0.01198(12) Uani 1 1 d . . . . .
N1A N 0.3363(2) 0.65570(11) 0.25789(5) 0.0128(4) Uani 1 1 d . . . . .
C1A C 0.3294(9) 0.6731(4) 0.1238(4) 0.0197(16) Uani 0.6 1 d D U P A 1
C2A C 0.2695(10) 0.6111(4) 0.1367(6) 0.0168(16) Uani 0.6 1 d D U P A 1
H2A H 0.3195 0.5697 0.1386 0.020 Uiso 0.6 1 calc R U P A 1
C3A C 0.1382(9) 0.6097(4) 0.1469(6) 0.0190(16) Uani 0.6 1 d D U P A 1
H3A H 0.1004 0.5670 0.1546 0.023 Uiso 0.6 1 calc R U P A 1
C4A C 0.0608(8) 0.6706(4) 0.1458(6) 0.0207(15) Uani 0.6 1 d D U P A 1
C5A C 0.1219(10) 0.7334(4) 0.1359(7) 0.0245(17) Uani 0.6 1 d D U P A 1
H5A H 0.0754 0.7759 0.1375 0.029 Uiso 0.6 1 calc R U P A 1
C6A C 0.2526(9) 0.7339(4) 0.1234(5) 0.0182(16) Uani 0.6 1 d D U P A 1
H6A H 0.2889 0.7761 0.1145 0.022 Uiso 0.6 1 calc R U P A 1
C7A C 0.4668(6) 0.6696(3) 0.10900(16) 0.0233(14) Uani 0.6 1 d D U P A 1
H7A H 0.5220 0.6452 0.1275 0.028 Uiso 0.6 1 calc R U P A 1
C8A C 0.5248(6) 0.7421(3) 0.10226(15) 0.0345(12) Uani 0.6 1 d D U P A 1
H8AA H 0.6163 0.7374 0.0955 0.052 Uiso 0.6 1 calc R U P A 1
H8AB H 0.5173 0.7700 0.1247 0.052 Uiso 0.6 1 calc R U P A 1
H8AC H 0.4776 0.7650 0.0823 0.052 Uiso 0.6 1 calc R U P A 1
C9A C 0.4675(6) 0.6266(3) 0.07353(15) 0.0436(15) Uani 0.6 1 d D U P A 1
H9AA H 0.4067 0.6470 0.0559 0.065 Uiso 0.6 1 calc R U P A 1
H9AB H 0.4413 0.5786 0.0790 0.065 Uiso 0.6 1 calc R U P A 1
H9AC H 0.5550 0.6266 0.0630 0.065 Uiso 0.6 1 calc R U P A 1
C10A C -0.0810(7) 0.6664(5) 0.1557(4) 0.033(2) Uani 0.6 1 d D U P A 1
H10A H -0.1333 0.6660 0.1333 0.050 Uiso 0.6 1 calc R U P A 1
H10B H -0.1048 0.7068 0.1707 0.050 Uiso 0.6 1 calc R U P A 1
H10C H -0.0970 0.6236 0.1696 0.050 Uiso 0.6 1 calc R U P A 1
C1A' C 0.3287(12) 0.6779(6) 0.1217(5) 0.015(2) Uani 0.4 1 d D U P A 2
C2A' C 0.2849(14) 0.6114(6) 0.1330(9) 0.016(2) Uani 0.4 1 d D U P A 2
H2A' H 0.3431 0.5731 0.1322 0.019 Uiso 0.4 1 calc R U P A 2
C3A' C 0.1570(13) 0.6006(7) 0.1453(9) 0.017(2) Uani 0.4 1 d D U P A 2
H3A' H 0.1315 0.5556 0.1534 0.021 Uiso 0.4 1 calc R U P A 2
C4A' C 0.0659(12) 0.6557(6) 0.1459(9) 0.021(2) Uani 0.4 1 d D U P A 2
C5A' C 0.1105(13) 0.7230(6) 0.1369(10) 0.018(2) Uani 0.4 1 d D U P A 2
H5A' H 0.0519 0.7612 0.1373 0.021 Uiso 0.4 1 calc R U P A 2
C6A' C 0.2422(13) 0.7343(5) 0.1273(8) 0.021(2) Uani 0.4 1 d D U P A 2
H6A' H 0.2730 0.7806 0.1246 0.026 Uiso 0.4 1 calc R U P A 2
C7A' C 0.4620(9) 0.6894(4) 0.1051(2) 0.019(2) Uani 0.4 1 d D U P A 2
H7A' H 0.5005 0.7323 0.1161 0.023 Uiso 0.4 1 calc R U P A 2
C8A' C 0.4452(8) 0.7009(4) 0.06344(17) 0.0332(18) Uani 0.4 1 d D U P A 2
H8AD H 0.5301 0.7091 0.0522 0.050 Uiso 0.4 1 calc R U P A 2
H8AE H 0.3893 0.7413 0.0592 0.050 Uiso 0.4 1 calc R U P A 2
H8AF H 0.4055 0.6595 0.0524 0.050 Uiso 0.4 1 calc R U P A 2
C9A' C 0.5546(7) 0.6287(4) 0.11151(18) 0.0236(14) Uani 0.4 1 d D U P A 2
H9AD H 0.5211 0.5870 0.0992 0.035 Uiso 0.4 1 calc R U P A 2
H9AE H 0.5621 0.6198 0.1379 0.035 Uiso 0.4 1 calc R U P A 2
H9AF H 0.6401 0.6403 0.1015 0.035 Uiso 0.4 1 calc R U P A 2
C10' C -0.0738(11) 0.6432(7) 0.1563(6) 0.029(3) Uani 0.4 1 d D U P A 2
H10G H -0.1203 0.6233 0.1353 0.044 Uiso 0.4 1 calc R U P A 2
H10H H -0.1141 0.6875 0.1632 0.044 Uiso 0.4 1 calc R U P A 2
H10I H -0.0776 0.6109 0.1770 0.044 Uiso 0.4 1 calc R U P A 2
C11A C 0.3711(3) 0.62691(14) 0.29492(7) 0.0183(5) Uani 1 1 d . . . . .
H11A H 0.2918 0.6307 0.3105 0.022 Uiso 1 1 calc R U . . .
C12A C 0.4760(3) 0.67021(17) 0.31351(8) 0.0283(7) Uani 1 1 d . . . . .
H12A H 0.5544 0.6700 0.2983 0.042 Uiso 1 1 calc R U . . .
H12B H 0.4957 0.6503 0.3376 0.042 Uiso 1 1 calc R U . . .
H12C H 0.4453 0.7181 0.3165 0.042 Uiso 1 1 calc R U . . .
C13A C 0.4084(3) 0.54995(15) 0.29403(8) 0.0236(6) Uani 1 1 d . . . . .
H13A H 0.3447 0.5241 0.2794 0.035 Uiso 1 1 calc R U . . .
H13B H 0.4098 0.5315 0.3191 0.035 Uiso 1 1 calc R U . . .
H13C H 0.4944 0.5448 0.2830 0.035 Uiso 1 1 calc R U . . .
C14A C 0.1141(2) 0.56776(13) 0.25022(7) 0.0145(5) Uani 1 1 d . . . . .
C15A C 0.1293(3) 0.51282(14) 0.22539(8) 0.0194(5) Uani 1 1 d . . . . .
H15A H 0.1758 0.5201 0.2032 0.023 Uiso 1 1 calc R U . . .
C16A C 0.0771(3) 0.44773(14) 0.23280(8) 0.0252(6) Uani 1 1 d . . . . .
H16A H 0.0865 0.4112 0.2155 0.030 Uiso 1 1 calc R U . . .
C17A C 0.0115(3) 0.43578(15) 0.26536(9) 0.0261(6) Uani 1 1 d . . . . .
H17A H -0.0260 0.3915 0.2702 0.031 Uiso 1 1 calc R U . . .
C18A C 0.0010(3) 0.48897(16) 0.29070(8) 0.0249(6) Uani 1 1 d . . . . .
H18A H -0.0402 0.4803 0.3136 0.030 Uiso 1 1 calc R U . . .
C19A C 0.0499(3) 0.55489(14) 0.28327(7) 0.0186(5) Uani 1 1 d . . . . .
H19A H 0.0396 0.5912 0.3007 0.022 Uiso 1 1 calc R U . . .
C20A C 0.0818(2) 0.70886(12) 0.26765(7) 0.0148(5) Uani 1 1 d . . . . .
C21A C -0.0507(3) 0.70993(14) 0.25993(8) 0.0219(6) Uani 1 1 d . . . . .
H21A H -0.0835 0.6842 0.2397 0.026 Uiso 1 1 calc R U . . .
C22A C -0.1346(3) 0.74844(15) 0.28165(9) 0.0262(6) Uani 1 1 d . . . . .
H22A H -0.2245 0.7494 0.2761 0.031 Uiso 1 1 calc R U . . .
C23A C -0.0877(3) 0.78523(15) 0.31127(8) 0.0268(7) Uani 1 1 d . . . . .
H23A H -0.1457 0.8105 0.3265 0.032 Uiso 1 1 calc R U . . .
C24A C 0.0440(3) 0.78545(14) 0.31883(8) 0.0280(6) Uani 1 1 d . . . . .
H24A H 0.0761 0.8113 0.3391 0.034 Uiso 1 1 calc R U . . .
C25A C 0.1292(3) 0.74792(14) 0.29679(7) 0.0215(6) Uani 1 1 d . . . . .
H25A H 0.2197 0.7490 0.3017 0.026 Uiso 1 1 calc R U . . .
C26A C 0.5320(2) 0.59368(13) 0.21460(6) 0.0142(5) Uani 1 1 d . . . . .
C27A C 0.4905(3) 0.53096(14) 0.19930(7) 0.0159(5) Uani 1 1 d . . . . .
H27A H 0.4082 0.5285 0.1877 0.019 Uiso 1 1 calc R U . . .
C28A C 0.5686(3) 0.47213(14) 0.20083(7) 0.0204(5) Uani 1 1 d . . . . .
H28A H 0.5400 0.4299 0.1899 0.024 Uiso 1 1 calc R U . . .
C29A C 0.6880(3) 0.47472(15) 0.21814(8) 0.0238(6) Uani 1 1 d . . . . .
H29A H 0.7396 0.4339 0.2201 0.029 Uiso 1 1 calc R U . . .
C30A C 0.7319(3) 0.53715(15) 0.23264(8) 0.0229(6) Uani 1 1 d . . . . .
H30A H 0.8149 0.5393 0.2439 0.028 Uiso 1 1 calc R U . . .
C31A C 0.6552(3) 0.59658(15) 0.23077(7) 0.0189(5) Uani 1 1 d . . . . .
H31A H 0.6864 0.6393 0.2405 0.023 Uiso 1 1 calc R U . . .
C32A C 0.5326(2) 0.74065(13) 0.22093(7) 0.0154(5) Uani 1 1 d . . . . .
C33A C 0.5211(3) 0.79568(14) 0.24565(8) 0.0209(6) Uani 1 1 d . . . . .
H33A H 0.4580 0.7940 0.2646 0.025 Uiso 1 1 calc R U . . .
C34A C 0.6026(3) 0.85334(15) 0.24243(9) 0.0266(6) Uani 1 1 d . . . . .
H34A H 0.5972 0.8900 0.2599 0.032 Uiso 1 1 calc R U . . .
C35A C 0.6910(3) 0.85747(15) 0.21407(9) 0.0255(6) Uani 1 1 d . . . . .
H35A H 0.7440 0.8976 0.2116 0.031 Uiso 1 1 calc R U . . .
C36A C 0.7028(3) 0.80357(15) 0.18926(8) 0.0232(6) Uani 1 1 d . . . . .
H36A H 0.7641 0.8064 0.1698 0.028 Uiso 1 1 calc R U . . .
C37A C 0.6247(3) 0.74532(14) 0.19288(7) 0.0183(5) Uani 1 1 d . . . . .
H37A H 0.6339 0.7079 0.1760 0.022 Uiso 1 1 calc R U . . .
Ru1B Ru 0.44156(2) 0.60039(2) 0.48264(2) 0.01078(4) Uani 1 1 d . . . . .
Cl1B Cl 0.60499(6) 0.66681(3) 0.51336(2) 0.01539(11) Uani 1 1 d . . . . .
P1B P 0.60957(6) 0.55728(3) 0.44776(2) 0.01269(12) Uani 1 1 d . . . . .
P2B P 0.54011(7) 0.50627(3) 0.51079(2) 0.01539(13) Uani 1 1 d . . . . .
N1B N 0.6623(2) 0.49857(11) 0.47949(6) 0.0176(4) Uani 1 1 d D . . . .
C1B C 0.3367(2) 0.68351(13) 0.44898(6) 0.0152(5) Uani 1 1 d D . . . .
C2B C 0.3206(2) 0.69894(12) 0.48653(6) 0.0151(5) Uani 1 1 d D . . . .
H2B H 0.3629 0.7419 0.4964 0.018 Uiso 1 1 calc R U . . .
C3B C 0.2711(2) 0.65007(13) 0.51200(6) 0.0162(5) Uani 1 1 d D . . . .
H3B H 0.2772 0.6600 0.5389 0.019 Uiso 1 1 calc R U . . .
C4B C 0.2307(2) 0.58352(13) 0.50003(6) 0.0174(5) Uani 1 1 d D . . . .
C5B C 0.2460(3) 0.56643(12) 0.46230(6) 0.0176(5) Uani 1 1 d D . . . .
H5B H 0.2333 0.5172 0.4542 0.021 Uiso 1 1 calc R U . . .
C6B C 0.3013(2) 0.61489(13) 0.43775(7) 0.0157(5) Uani 1 1 d D . . . .
H6B H 0.3253 0.5990 0.4125 0.019 Uiso 1 1 calc R U . . .
C7B C 0.3898(3) 0.73514(13) 0.42136(7) 0.0194(5) Uani 1 1 d D . . . .
H7B H 0.4511 0.7095 0.4050 0.023 Uiso 1 1 calc R U . . .
C8B C 0.2789(3) 0.76309(16) 0.39732(8) 0.0277(7) Uani 1 1 d D . . . .
H8B1 H 0.2328 0.7240 0.3860 0.042 Uiso 1 1 calc R U . . .
H8B2 H 0.3147 0.7931 0.3781 0.042 Uiso 1 1 calc R U . . .
H8B3 H 0.2186 0.7899 0.4125 0.042 Uiso 1 1 calc R U . . .
C9B C 0.4647(3) 0.79454(15) 0.43909(8) 0.0295(7) Uani 1 1 d D . . . .
H9B1 H 0.4046 0.8245 0.4527 0.044 Uiso 1 1 calc R U . . .
H9B2 H 0.5082 0.8219 0.4200 0.044 Uiso 1 1 calc R U . . .
H9B3 H 0.5295 0.7755 0.4560 0.044 Uiso 1 1 calc R U . . .
C10B C 0.1688(3) 0.53307(16) 0.52634(8) 0.0261(6) Uani 1 1 d D . . . .
H10D H 0.2074 0.5388 0.5507 0.039 Uiso 1 1 calc R U . . .
H10E H 0.1833 0.4854 0.5177 0.039 Uiso 1 1 calc R U . . .
H10F H 0.0755 0.5422 0.5277 0.039 Uiso 1 1 calc R U . . .
C11B C 0.7582(4) 0.4420(2) 0.46823(11) 0.0183(9) Uani 0.75 1 d D U P B 1
H11B H 0.8101 0.4611 0.4473 0.022 Uiso 0.75 1 calc R U P B 1
C12B C 0.8528(4) 0.4250(2) 0.49864(12) 0.0262(8) Uani 0.75 1 d D U P B 1
H12D H 0.9026 0.4667 0.5050 0.039 Uiso 0.75 1 calc R U P B 1
H12E H 0.9120 0.3883 0.4904 0.039 Uiso 0.75 1 calc R U P B 1
H12F H 0.8050 0.4089 0.5203 0.039 Uiso 0.75 1 calc R U P B 1
C13B C 0.6910(9) 0.3763(7) 0.4543(4) 0.0226(10) Uani 0.75 1 d D U P B 1
H13D H 0.7563 0.3434 0.4452 0.034 Uiso 0.75 1 calc R U P B 1
H13E H 0.6318 0.3884 0.4342 0.034 Uiso 0.75 1 calc R U P B 1
H13F H 0.6420 0.3548 0.4743 0.034 Uiso 0.75 1 calc R U P B 1
C11" C 0.7419(10) 0.4339(6) 0.4822(4) 0.025(3) Uani 0.25 1 d D U P B 2
H11" H 0.7382 0.4169 0.5082 0.030 Uiso 0.25 1 calc R U P B 2
C12" C 0.8803(11) 0.4529(7) 0.4735(4) 0.031(3) Uani 0.25 1 d D U P B 2
H12G H 0.8844 0.4745 0.4492 0.047 Uiso 0.25 1 calc R U P B 2
H12H H 0.9339 0.4107 0.4737 0.047 Uiso 0.25 1 calc R U P B 2
H12I H 0.9126 0.4856 0.4920 0.047 Uiso 0.25 1 calc R U P B 2
C13" C 0.692(3) 0.376(2) 0.4571(13) 0.0226(10) Uani 0.25 1 d D U P B 2
H13G H 0.6853 0.3326 0.4711 0.034 Uiso 0.25 1 calc R U P B 2
H13H H 0.7531 0.3694 0.4367 0.034 Uiso 0.25 1 calc R U P B 2
H13I H 0.6070 0.3887 0.4475 0.034 Uiso 0.25 1 calc R U P B 2
C14B C 0.5840(3) 0.50844(13) 0.40564(7) 0.0154(5) Uani 1 1 d . . . . .
C15B C 0.4664(3) 0.47455(13) 0.39960(7) 0.0165(5) Uani 1 1 d . . . . .
H15B H 0.3942 0.4845 0.4149 0.020 Uiso 1 1 calc R U . . .
C16B C 0.4540(3) 0.42630(13) 0.37133(7) 0.0186(5) Uani 1 1 d . . . . .
H16B H 0.3735 0.4034 0.3674 0.022 Uiso 1 1 calc R U . . .
C17B C 0.5592(3) 0.41161(14) 0.34883(7) 0.0224(6) Uani 1 1 d . . . . .
H17B H 0.5514 0.3780 0.3298 0.027 Uiso 1 1 calc R U . . .
C18B C 0.6759(3) 0.44611(16) 0.35419(8) 0.0248(6) Uani 1 1 d . . . . .
H18B H 0.7474 0.4365 0.3386 0.030 Uiso 1 1 calc R U . . .
C19B C 0.6888(3) 0.49457(15) 0.38216(8) 0.0216(6) Uani 1 1 d . . . . .
H19B H 0.7686 0.5184 0.3854 0.026 Uiso 1 1 calc R U . . .
C20B C 0.7412(3) 0.61555(12) 0.43676(7) 0.0151(5) Uani 1 1 d . . . . .
C21B C 0.7241(3) 0.66086(14) 0.40718(7) 0.0204(6) Uani 1 1 d . . . . .
H21B H 0.6522 0.6547 0.3912 0.024 Uiso 1 1 calc R U . . .
C22B C 0.8107(3) 0.71466(15) 0.40084(8) 0.0267(6) Uani 1 1 d . . . . .
H22B H 0.7967 0.7460 0.3810 0.032 Uiso 1 1 calc R U . . .
C23B C 0.9177(3) 0.72271(15) 0.42346(8) 0.0283(7) Uani 1 1 d . . . . .
H23B H 0.9770 0.7597 0.4193 0.034 Uiso 1 1 calc R U . . .
C24B C 0.9382(3) 0.67667(15) 0.45219(8) 0.0243(6) Uani 1 1 d . . . . .
H24B H 1.0129 0.6813 0.4672 0.029 Uiso 1 1 calc R U . . .
C25B C 0.8493(3) 0.62363(14) 0.45907(7) 0.0196(5) Uani 1 1 d . . . . .
H25B H 0.8627 0.5929 0.4791 0.024 Uiso 1 1 calc R U . . .
C26B C 0.4664(3) 0.42045(13) 0.51522(8) 0.0214(6) Uani 1 1 d . . . . .
C27B C 0.5097(4) 0.37343(16) 0.54190(8) 0.0307(7) Uani 1 1 d . . . . .
H27B H 0.5686 0.3883 0.5603 0.037 Uiso 1 1 calc R U . . .
C28B C 0.4662(4) 0.30497(17) 0.54135(9) 0.0417(9) Uani 1 1 d . . . . .
H28B H 0.4964 0.2727 0.5591 0.050 Uiso 1 1 calc R U . . .
C29B C 0.3785(4) 0.28406(17) 0.51465(10) 0.0476(10) Uani 1 1 d . . . . .
H29B H 0.3491 0.2372 0.5143 0.057 Uiso 1 1 calc R U . . .
C30B C 0.3334(4) 0.32996(17) 0.48869(9) 0.0380(8) Uani 1 1 d . . . . .
H30B H 0.2726 0.3151 0.4707 0.046 Uiso 1 1 calc R U . . .
C31B C 0.3776(3) 0.39839(15) 0.48897(8) 0.0262(6) Uani 1 1 d . . . . .
H31B H 0.3468 0.4303 0.4711 0.031 Uiso 1 1 calc R U . . .
C32B C 0.6022(3) 0.52239(13) 0.55663(7) 0.0175(5) Uani 1 1 d . . . . .
C33B C 0.5092(3) 0.53266(15) 0.58368(8) 0.0238(6) Uani 1 1 d . . . . .
H33B H 0.4197 0.5293 0.5778 0.029 Uiso 1 1 calc R U . . .
C34B C 0.5471(3) 0.54780(15) 0.61939(8) 0.0278(6) Uani 1 1 d . . . . .
H34B H 0.4838 0.5557 0.6379 0.033 Uiso 1 1 calc R U . . .
C35B C 0.6778(3) 0.55138(17) 0.62794(8) 0.0305(7) Uani 1 1 d . . . . .
H35B H 0.7039 0.5603 0.6525 0.037 Uiso 1 1 calc R U . . .
C36B C 0.7694(3) 0.54213(17) 0.60128(9) 0.0324(7) Uani 1 1 d . . . . .
H36B H 0.8587 0.5449 0.6074 0.039 Uiso 1 1 calc R U . . .
C37B C 0.7328(3) 0.52870(16) 0.56514(8) 0.0261(6) Uani 1 1 d . . . . .
H37B H 0.7967 0.5239 0.5465 0.031 Uiso 1 1 calc R U . . .
B1A B 0.3290(3) 0.40556(17) 0.13265(9) 0.0223(6) Uani 1 1 d . . . . .
F1A F 0.41210(18) 0.45458(9) 0.11729(5) 0.0314(4) Uani 1 1 d . . . . .
F2A F 0.2492(2) 0.37804(9) 0.10584(5) 0.0318(4) Uani 1 1 d . . . . .
F3A F 0.2533(2) 0.43919(9) 0.15906(5) 0.0385(5) Uani 1 1 d . . . . .
F4A F 0.3992(2) 0.35310(10) 0.14933(5) 0.0438(5) Uani 1 1 d . . . . .
B1B B 0.9049(4) 0.8748(2) 0.09856(10) 0.0326(8) Uani 1 1 d . . . . .
F1B F 0.8441(2) 0.91735(11) 0.07340(6) 0.0507(6) Uani 1 1 d . . . . .
F2B F 0.8874(3) 0.90422(12) 0.13345(6) 0.0532(6) Uani 1 1 d . . . . .
F3B F 1.0331(2) 0.86828(16) 0.09093(9) 0.0847(10) Uani 1 1 d . . . . .
F4B F 0.8483(2) 0.80954(11) 0.09911(6) 0.0508(6) Uani 1 1 d . . . . .
O1S O 0.8220(2) 0.04909(13) 0.13516(6) 0.0327(5) Uani 1 1 d . . . . .
H1S H 0.8219 0.0054 0.1353 0.049 Uiso 1 1 calc R U . . .
C1S C 0.9418(3) 0.07341(19) 0.12119(9) 0.0370(8) Uani 1 1 d . . . . .
H1S1 H 0.9361 0.1236 0.1166 0.055 Uiso 1 1 calc R U . . .
H1S2 H 0.9615 0.0493 0.0982 0.055 Uiso 1 1 calc R U . . .
H1S3 H 1.0106 0.0642 0.1391 0.055 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1A C2A 2.184(18) . ?
Ru1A C6A' 2.18(2) . ?
Ru1A C3A 2.206(19) . ?
Ru1A C5A' 2.24(3) . ?
Ru1A C5A 2.27(2) . ?
Ru1A C3A' 2.27(3) . ?
Ru1A C1A 2.294(11) . ?
Ru1A C4A 2.300(17) . ?
Ru1A P1A 2.3049(7) . ?
Ru1A C2A' 2.31(3) . ?
Ru1A C4A' 2.31(3) . ?
Ru1A C6A 2.313(15) . ?
P1A N1A 1.706(2) . ?
P1A C20A 1.812(3) . ?
P1A C14A 1.822(3) . ?
P1A P2A 2.5990(9) . ?
P2A N1A 1.703(2) . ?
P2A C32A 1.812(3) . ?
P2A C26A 1.818(3) . ?
N1A C11A 1.502(3) . ?
C1A C6A 1.411(5) . ?
C1A C2A 1.422(5) . ?
C1A C7A 1.519(5) . ?
C2A C3A 1.405(5) . ?
C3A C4A 1.418(5) . ?
C4A C5A 1.408(5) . ?
C4A C10A 1.509(5) . ?
C5A C6A 1.422(5) . ?
C7A C8A 1.534(6) . ?
C7A C9A 1.535(6) . ?
C1A' C2A' 1.416(5) . ?
C1A' C6A' 1.419(5) . ?
C1A' C7A' 1.518(5) . ?
C2A' C3A' 1.409(5) . ?
C3A' C4A' 1.416(6) . ?
C4A' C5A' 1.411(6) . ?
C4A' C10' 1.509(5) . ?
C5A' C6A' 1.419(6) . ?
C7A' C9A' 1.525(6) . ?
C7A' C8A' 1.545(6) . ?
C11A C12A 1.523(4) . ?
C11A C13A 1.528(4) . ?
C14A C19A 1.396(4) . ?
C14A C15A 1.399(4) . ?
C15A C16A 1.388(4) . ?
C16A C17A 1.385(4) . ?
C17A C18A 1.381(4) . ?
C18A C19A 1.389(4) . ?
C20A C25A 1.389(4) . ?
C20A C21A 1.396(4) . ?
C21A C22A 1.387(4) . ?
C22A C23A 1.378(4) . ?
C23A C24A 1.386(5) . ?
C24A C25A 1.392(4) . ?
C26A C27A 1.395(4) . ?
C26A C31A 1.402(3) . ?
C27A C28A 1.389(4) . ?
C28A C29A 1.385(4) . ?
C29A C30A 1.387(4) . ?
C30A C31A 1.391(4) . ?
C32A C33A 1.394(4) . ?
C32A C37A 1.399(4) . ?
C33A C34A 1.396(4) . ?
C34A C35A 1.381(4) . ?
C35A C36A 1.380(4) . ?
C36A C37A 1.385(4) . ?
Ru1B C6B 2.202(2) . ?
Ru1B C5B 2.246(3) . ?
Ru1B C3B 2.269(2) . ?
Ru1B C2B 2.272(2) . ?
Ru1B C1B 2.286(2) . ?
Ru1B C4B 2.289(3) . ?
Ru1B P1B 2.3035(7) . ?
Ru1B P2B 2.3142(7) . ?
Ru1B Cl1B 2.3923(6) . ?
P1B N1B 1.704(2) . ?
P1B C20B 1.805(3) . ?
P1B C14B 1.818(2) . ?
P1B P2B 2.5977(9) . ?
P2B N1B 1.706(2) . ?
P2B C32B 1.815(3) . ?
P2B C26B 1.823(3) . ?
N1B C11" 1.493(10) . ?
N1B C11B 1.525(5) . ?
C1B C2B 1.409(3) . ?
C1B C6B 1.428(3) . ?
C1B C7B 1.516(3) . ?
C2B C3B 1.415(3) . ?
C3B C4B 1.414(3) . ?
C4B C5B 1.422(3) . ?
C4B C10B 1.505(3) . ?
C5B C6B 1.411(3) . ?
C7B C9B 1.522(4) . ?
C7B C8B 1.538(4) . ?
C11B C12B 1.512(5) . ?
C11B C13B 1.528(6) . ?
C11" C12" 1.508(8) . ?
C11" C13" 1.528(8) . ?
C14B C15B 1.395(4) . ?
C14B C19B 1.403(4) . ?
C15B C16B 1.392(3) . ?
C16B C17B 1.390(4) . ?
C17B C18B 1.388(4) . ?
C18B C19B 1.387(4) . ?
C20B C25B 1.388(4) . ?
C20B C21B 1.397(4) . ?
C21B C22B 1.385(4) . ?
C22B C23B 1.387(5) . ?
C23B C24B 1.386(4) . ?
C24B C25B 1.394(4) . ?
C26B C31B 1.391(4) . ?
C26B C27B 1.400(4) . ?
C27B C28B 1.390(5) . ?
C28B C29B 1.388(6) . ?
C29B C30B 1.374(5) . ?
C30B C31B 1.391(4) . ?
C32B C37B 1.388(4) . ?
C32B C33B 1.390(4) . ?
C33B C34B 1.390(4) . ?
C34B C35B 1.385(5) . ?
C35B C36B 1.367(5) . ?
C36B C37B 1.394(4) . ?
B1A F4A 1.382(4) . ?
B1A F2A 1.383(4) . ?
B1A F1A 1.391(4) . ?
B1A F3A 1.398(4) . ?
B1B F3B 1.357(5) . ?
B1B F1B 1.379(4) . ?
B1B F4B 1.384(5) . ?
B1B F2B 1.403(4) . ?
O1S C1S 1.416(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
C2A Ru1A C3A 37.3(3) . . ?
C6A' Ru1A C5A' 37.4(4) . . ?
C2A Ru1A C5A 77.9(6) . . ?
C3A Ru1A C5A 65.3(5) . . ?
C6A' Ru1A C3A' 77.5(7) . . ?
C5A' Ru1A C3A' 64.8(7) . . ?
C2A Ru1A C1A 36.9(2) . . ?
C3A Ru1A C1A 66.4(4) . . ?
C5A Ru1A C1A 65.6(4) . . ?
C2A Ru1A C4A 66.5(5) . . ?
C3A Ru1A C4A 36.6(3) . . ?
C5A Ru1A C4A 35.9(3) . . ?
C1A Ru1A C4A 77.8(4) . . ?
C2A Ru1A P1A 123.0(2) . . ?
C6A' Ru1A P1A 162.1(2) . . ?
C3A Ru1A P1A 102.6(4) . . ?
C5A' Ru1A P1A 126.7(4) . . ?
C5A Ru1A P1A 129.9(3) . . ?
C3A' Ru1A P1A 103.7(6) . . ?
C1A Ru1A P1A 157.15(18) . . ?
C4A Ru1A P1A 105.8(3) . . ?
C6A' Ru1A C2A' 64.8(6) . . ?
C5A' Ru1A C2A' 76.1(8) . . ?
C3A' Ru1A C2A' 35.8(4) . . ?
P1A Ru1A C2A' 126.1(3) . . ?
C6A' Ru1A C4A' 66.3(6) . . ?
C5A' Ru1A C4A' 36.1(4) . . ?
C3A' Ru1A C4A' 36.0(4) . . ?
P1A Ru1A C4A' 104.1(5) . . ?
C2A' Ru1A C4A' 64.4(6) . . ?
C2A Ru1A C6A 64.9(4) . . ?
C3A Ru1A C6A 76.4(5) . . ?
C5A Ru1A C6A 36.1(3) . . ?
C1A Ru1A C6A 35.68(18) . . ?
C4A Ru1A C6A 64.5(4) . . ?
P1A Ru1A C6A 165.27(17) . . ?
N1A P1A C20A 107.55(11) . . ?
N1A P1A C14A 108.37(11) . . ?
C20A P1A C14A 100.99(12) . . ?
N1A P1A Ru1A 95.79(7) . . ?
C20A P1A Ru1A 120.41(8) . . ?
C14A P1A Ru1A 122.57(9) . . ?
N1A P1A P2A 40.28(7) . . ?
C20A P1A P2A 130.70(9) . . ?
C14A P1A P2A 122.15(9) . . ?
Ru1A P1A P2A 56.02(2) . . ?
N1A P2A C32A 112.79(11) . . ?
N1A P2A C26A 106.69(11) . . ?
C32A P2A C26A 102.57(12) . . ?
N1A P2A Ru1A 95.42(7) . . ?
C32A P2A Ru1A 114.49(8) . . ?
C26A P2A Ru1A 124.68(9) . . ?
N1A P2A P1A 40.38(7) . . ?
C32A P2A P1A 131.61(9) . . ?
C26A P2A P1A 121.93(9) . . ?
Ru1A P2A P1A 55.56(2) . . ?
C11A N1A P2A 132.97(18) . . ?
C11A N1A P1A 123.54(17) . . ?
P2A N1A P1A 99.33(10) . . ?
C6A C1A C2A 117.0(4) . . ?
C6A C1A C7A 123.8(4) . . ?
C2A C1A C7A 119.1(4) . . ?
C6A C1A Ru1A 72.9(8) . . ?
C2A C1A Ru1A 67.3(8) . . ?
C7A C1A Ru1A 134.0(9) . . ?
C3A C2A C1A 121.4(4) . . ?
C3A C2A Ru1A 72.2(9) . . ?
C1A C2A Ru1A 75.7(8) . . ?
C2A C3A C4A 121.3(4) . . ?
C2A C3A Ru1A 70.5(9) . . ?
C4A C3A Ru1A 75.3(9) . . ?
C5A C4A C3A 117.5(4) . . ?
C5A C4A C10A 122.9(5) . . ?
C3A C4A C10A 119.6(5) . . ?
C5A C4A Ru1A 71.0(10) . . ?
C3A C4A Ru1A 68.1(9) . . ?
C10A C4A Ru1A 131.5(12) . . ?
C4A C5A C6A 120.8(4) . . ?
C4A C5A Ru1A 73.2(9) . . ?
C6A C5A Ru1A 73.5(9) . . ?
C1A C6A C5A 121.5(4) . . ?
C1A C6A Ru1A 71.4(7) . . ?
C5A C6A Ru1A 70.3(10) . . ?
C1A C7A C8A 112.4(5) . . ?
C1A C7A C9A 109.1(6) . . ?
C8A C7A C9A 110.6(4) . . ?
C2A' C1A' C6A' 116.5(5) . . ?
C2A' C1A' C7A' 122.4(5) . . ?
C6A' C1A' C7A' 121.1(5) . . ?
C2A' C1A' Ru1A 70.5(12) . . ?
C6A' C1A' Ru1A 65.3(12) . . ?
C7A' C1A' Ru1A 134.4(12) . . ?
C3A' C2A' C1A' 121.6(5) . . ?
C3A' C2A' Ru1A 70.7(13) . . ?
C1A' C2A' Ru1A 74.1(11) . . ?
C2A' C3A' C4A' 121.1(5) . . ?
C2A' C3A' Ru1A 73.4(13) . . ?
C4A' C3A' Ru1A 73.4(13) . . ?
C5A' C4A' C3A' 117.7(4) . . ?
C5A' C4A' C10' 121.0(6) . . ?
C3A' C4A' C10' 121.3(6) . . ?
C5A' C4A' Ru1A 69.2(14) . . ?
C3A' C4A' Ru1A 70.6(13) . . ?
C10' C4A' Ru1A 130.7(19) . . ?
C4A' C5A' C6A' 120.6(5) . . ?
C4A' C5A' Ru1A 74.7(14) . . ?
C6A' C5A' Ru1A 69.2(14) . . ?
C1A' C6A' C5A' 121.4(5) . . ?
C1A' C6A' Ru1A 78.5(11) . . ?
C5A' C6A' Ru1A 73.4(14) . . ?
C1A' C7A' C9A' 113.3(6) . . ?
C1A' C7A' C8A' 108.1(8) . . ?
C9A' C7A' C8A' 109.3(5) . . ?
N1A C11A C12A 111.6(2) . . ?
N1A C11A C13A 113.4(2) . . ?
C12A C11A C13A 111.0(2) . . ?
C19A C14A C15A 118.5(2) . . ?
C19A C14A P1A 121.5(2) . . ?
C15A C14A P1A 119.9(2) . . ?
C16A C15A C14A 120.7(3) . . ?
C17A C16A C15A 120.4(3) . . ?
C18A C17A C16A 119.2(3) . . ?
C17A C18A C19A 121.1(3) . . ?
C18A C19A C14A 120.1(3) . . ?
C25A C20A C21A 119.4(2) . . ?
C25A C20A P1A 122.9(2) . . ?
C21A C20A P1A 117.6(2) . . ?
C22A C21A C20A 120.3(3) . . ?
C23A C22A C21A 120.1(3) . . ?
C22A C23A C24A 120.1(3) . . ?
C23A C24A C25A 120.2(3) . . ?
C20A C25A C24A 119.9(3) . . ?
C27A C26A C31A 118.7(2) . . ?
C27A C26A P2A 120.83(19) . . ?
C31A C26A P2A 120.1(2) . . ?
C28A C27A C26A 120.6(2) . . ?
C29A C28A C27A 120.3(3) . . ?
C28A C29A C30A 119.7(3) . . ?
C29A C30A C31A 120.3(3) . . ?
C30A C31A C26A 120.3(3) . . ?
C33A C32A C37A 118.8(2) . . ?
C33A C32A P2A 124.6(2) . . ?
C37A C32A P2A 116.1(2) . . ?
C32A C33A C34A 119.7(3) . . ?
C35A C34A C33A 120.5(3) . . ?
C36A C35A C34A 120.4(3) . . ?
C35A C36A C37A 119.5(3) . . ?
C36A C37A C32A 121.1(3) . . ?
C6B Ru1B C5B 36.98(9) . . ?
C6B Ru1B C3B 77.73(9) . . ?
C5B Ru1B C3B 65.26(9) . . ?
C6B Ru1B C2B 65.15(9) . . ?
C5B Ru1B C2B 76.65(9) . . ?
C3B Ru1B C2B 36.33(8) . . ?
C6B Ru1B C1B 37.05(8) . . ?
C5B Ru1B C1B 66.46(9) . . ?
C3B Ru1B C1B 65.93(8) . . ?
C2B Ru1B C1B 36.03(8) . . ?
C6B Ru1B C4B 66.33(9) . . ?
C5B Ru1B C4B 36.53(8) . . ?
C3B Ru1B C4B 36.14(8) . . ?
C2B Ru1B C4B 65.08(9) . . ?
C1B Ru1B C4B 78.31(9) . . ?
C6B Ru1B P1B 97.49(7) . . ?
C5B Ru1B P1B 112.92(7) . . ?
C3B Ru1B P1B 174.08(6) . . ?
C2B Ru1B P1B 138.36(6) . . ?
C1B Ru1B P1B 108.14(6) . . ?
C4B Ru1B P1B 144.78(6) . . ?
C6B Ru1B P2B 135.80(7) . . ?
C5B Ru1B P2B 108.30(6) . . ?
C3B Ru1B P2B 117.40(6) . . ?
C2B Ru1B P2B 149.87(6) . . ?
C1B Ru1B P2B 172.58(6) . . ?
C4B Ru1B P2B 100.62(6) . . ?
P1B Ru1B P2B 68.47(2) . . ?
C6B Ru1B Cl1B 138.02(7) . . ?
C5B Ru1B Cl1B 160.44(6) . . ?
C3B Ru1B Cl1B 95.82(6) . . ?
C2B Ru1B Cl1B 85.05(6) . . ?
C1B Ru1B Cl1B 102.25(6) . . ?
C4B Ru1B Cl1B 128.03(6) . . ?
P1B Ru1B Cl1B 85.38(2) . . ?
P2B Ru1B Cl1B 84.24(2) . . ?
N1B P1B C20B 108.71(12) . . ?
N1B P1B C14B 106.11(11) . . ?
C20B P1B C14B 103.97(11) . . ?
N1B P1B Ru1B 95.96(8) . . ?
C20B P1B Ru1B 117.77(8) . . ?
C14B P1B Ru1B 122.84(9) . . ?
N1B P1B P2B 40.42(8) . . ?
C20B P1B P2B 129.63(8) . . ?
C14B P1B P2B 120.78(9) . . ?
Ru1B P1B P2B 55.96(2) . . ?
N1B P2B C32B 111.66(13) . . ?
N1B P2B C26B 106.79(12) . . ?
C32B P2B C26B 102.71(12) . . ?
N1B P2B Ru1B 95.51(8) . . ?
C32B P2B Ru1B 115.43(9) . . ?
C26B P2B Ru1B 124.25(10) . . ?
N1B P2B P1B 40.35(7) . . ?
C32B P2B P1B 130.67(9) . . ?
C26B P2B P1B 122.32(9) . . ?
Ru1B P2B P1B 55.57(2) . . ?
C11" N1B P1B 140.5(6) . . ?
C11B N1B P1B 119.7(2) . . ?
C11" N1B P2B 115.7(5) . . ?
C11B N1B P2B 136.1(2) . . ?
P1B N1B P2B 99.22(11) . . ?
C2B C1B C6B 116.2(2) . . ?
C2B C1B C7B 123.3(2) . . ?
C6B C1B C7B 120.4(2) . . ?
C2B C1B Ru1B 71.46(13) . . ?
C6B C1B Ru1B 68.29(13) . . ?
C7B C1B Ru1B 129.97(18) . . ?
C1B C2B C3B 122.6(2) . . ?
C1B C2B Ru1B 72.51(14) . . ?
C3B C2B Ru1B 71.71(14) . . ?
C4B C3B C2B 120.3(2) . . ?
C4B C3B Ru1B 72.72(14) . . ?
C2B C3B Ru1B 71.96(14) . . ?
C3B C4B C5B 118.3(2) . . ?
C3B C4B C10B 120.7(2) . . ?
C5B C4B C10B 120.9(2) . . ?
C3B C4B Ru1B 71.14(14) . . ?
C5B C4B Ru1B 70.10(15) . . ?
C10B C4B Ru1B 132.10(19) . . ?
C6B C5B C4B 120.4(2) . . ?
C6B C5B Ru1B 69.79(15) . . ?
C4B C5B Ru1B 73.37(15) . . ?
C5B C6B C1B 122.1(2) . . ?
C5B C6B Ru1B 73.23(15) . . ?
C1B C6B Ru1B 74.67(14) . . ?
C1B C7B C9B 113.1(2) . . ?
C1B C7B C8B 109.8(2) . . ?
C9B C7B C8B 111.0(2) . . ?
C12B C11B N1B 112.1(3) . . ?
C12B C11B C13B 111.0(7) . . ?
N1B C11B C13B 112.6(6) . . ?
N1B C11" C12" 107.8(9) . . ?
N1B C11" C13" 112(2) . . ?
C12" C11" C13" 111.5(11) . . ?
C15B C14B C19B 119.0(2) . . ?
C15B C14B P1B 120.00(19) . . ?
C19B C14B P1B 120.1(2) . . ?
C16B C15B C14B 120.5(2) . . ?
C17B C16B C15B 120.0(3) . . ?
C18B C17B C16B 119.9(2) . . ?
C19B C18B C17B 120.5(3) . . ?
C18B C19B C14B 120.1(3) . . ?
C25B C20B C21B 118.9(2) . . ?
C25B C20B P1B 122.92(19) . . ?
C21B C20B P1B 117.6(2) . . ?
C22B C21B C20B 120.8(3) . . ?
C21B C22B C23B 119.8(3) . . ?
C24B C23B C22B 119.9(3) . . ?
C23B C24B C25B 120.1(3) . . ?
C20B C25B C24B 120.3(3) . . ?
C31B C26B C27B 119.4(3) . . ?
C31B C26B P2B 119.3(2) . . ?
C27B C26B P2B 120.8(2) . . ?
C28B C27B C26B 119.9(3) . . ?
C29B C28B C27B 119.6(3) . . ?
C30B C29B C28B 121.2(3) . . ?
C29B C30B C31B 119.3(3) . . ?
C26B C31B C30B 120.6(3) . . ?
C37B C32B C33B 120.0(3) . . ?
C37B C32B P2B 124.2(2) . . ?
C33B C32B P2B 115.7(2) . . ?
C34B C33B C32B 119.9(3) . . ?
C35B C34B C33B 119.7(3) . . ?
C36B C35B C34B 120.4(3) . . ?
C35B C36B C37B 120.6(3) . . ?
C32B C37B C36B 119.3(3) . . ?
F4A B1A F2A 110.1(2) . . ?
F4A B1A F1A 110.3(3) . . ?
F2A B1A F1A 110.0(2) . . ?
F4A B1A F3A 109.1(3) . . ?
F2A B1A F3A 109.3(3) . . ?
F1A B1A F3A 108.0(2) . . ?
F3B B1B F1B 111.2(3) . . ?
F3B B1B F4B 109.3(3) . . ?
F1B B1B F4B 110.8(3) . . ?
F3B B1B F2B 110.4(3) . . ?
F1B B1B F2B 107.8(3) . . ?
F4B B1B F2B 107.3(3) . . ?

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
C32A P2A N1A C11A -75.1(3) . . . . ?
C26A P2A N1A C11A 36.7(3) . . . . ?
Ru1A P2A N1A C11A 165.4(2) . . . . ?
P1A P2A N1A C11A 156.7(3) . . . . ?
C32A P2A N1A P1A 128.15(12) . . . . ?
C26A P2A N1A P1A -119.99(12) . . . . ?
Ru1A P2A N1A P1A 8.70(10) . . . . ?
C20A P1A N1A C11A 67.1(2) . . . . ?
C14A P1A N1A C11A -41.3(2) . . . . ?
Ru1A P1A N1A C11A -168.44(19) . . . . ?
P2A P1A N1A C11A -159.7(3) . . . . ?
C20A P1A N1A P2A -133.21(11) . . . . ?
C14A P1A N1A P2A 118.39(12) . . . . ?
Ru1A P1A N1A P2A -8.76(10) . . . . ?
C6A C1A C2A C3A 3(3) . . . . ?
C7A C1A C2A C3A -172.8(16) . . . . ?
Ru1A C1A C2A C3A 58.3(16) . . . . ?
C6A C1A C2A Ru1A -55.3(14) . . . . ?
C7A C1A C2A Ru1A 128.9(11) . . . . ?
C1A C2A C3A C4A -2(3) . . . . ?
Ru1A C2A C3A C4A 58.0(16) . . . . ?
C1A C2A C3A Ru1A -60.0(16) . . . . ?
C2A C3A C4A C5A -3(3) . . . . ?
Ru1A C3A C4A C5A 52.7(16) . . . . ?
C2A C3A C4A C10A 178.0(19) . . . . ?
Ru1A C3A C4A C10A -126.3(16) . . . . ?
C2A C3A C4A Ru1A -55.7(16) . . . . ?
C3A C4A C5A C6A 7(3) . . . . ?
C10A C4A C5A C6A -174.0(19) . . . . ?
Ru1A C4A C5A C6A 58.3(18) . . . . ?
C3A C4A C5A Ru1A -51.3(15) . . . . ?
C10A C4A C5A Ru1A 127.7(17) . . . . ?
C2A C1A C6A C5A 1(3) . . . . ?
C7A C1A C6A C5A 176.6(17) . . . . ?
Ru1A C1A C6A C5A -51.4(17) . . . . ?
C2A C1A C6A Ru1A 52.5(14) . . . . ?
C7A C1A C6A Ru1A -131.9(13) . . . . ?
C4A C5A C6A C1A -6(3) . . . . ?
Ru1A C5A C6A C1A 51.9(16) . . . . ?
C4A C5A C6A Ru1A -58.2(18) . . . . ?
C6A C1A C7A C8A 14.0(17) . . . . ?
C2A C1A C7A C8A -170.5(13) . . . . ?
Ru1A C1A C7A C8A -84.9(7) . . . . ?
C6A C1A C7A C9A -109.1(15) . . . . ?
C2A C1A C7A C9A 66.4(15) . . . . ?
Ru1A C1A C7A C9A 152.0(6) . . . . ?
C6A' C1A' C2A' C3A' 7(4) . . . . ?
C7A' C1A' C2A' C3A' -174(2) . . . . ?
Ru1A C1A' C2A' C3A' 55(2) . . . . ?
C6A' C1A' C2A' Ru1A -48(2) . . . . ?
C7A' C1A' C2A' Ru1A 130.9(17) . . . . ?
C1A' C2A' C3A' C4A' 2(4) . . . . ?
Ru1A C2A' C3A' C4A' 58(2) . . . . ?
C1A' C2A' C3A' Ru1A -56(2) . . . . ?
C2A' C3A' C4A' C5A' -6(4) . . . . ?
Ru1A C3A' C4A' C5A' 52(2) . . . . ?
C2A' C3A' C4A' C10' 175(3) . . . . ?
Ru1A C3A' C4A' C10' -127(3) . . . . ?
C2A' C3A' C4A' Ru1A -58(2) . . . . ?
C3A' C4A' C5A' C6A' 1(4) . . . . ?
C10' C4A' C5A' C6A' 180(3) . . . . ?
Ru1A C4A' C5A' C6A' 54(3) . . . . ?
C3A' C4A' C5A' Ru1A -53(2) . . . . ?
C10' C4A' C5A' Ru1A 126(3) . . . . ?
C2A' C1A' C6A' C5A' -12(4) . . . . ?
C7A' C1A' C6A' C5A' 169(2) . . . . ?
Ru1A C1A' C6A' C5A' -62(2) . . . . ?
C2A' C1A' C6A' Ru1A 50(2) . . . . ?
C7A' C1A' C6A' Ru1A -128.5(17) . . . . ?
C4A' C5A' C6A' C1A' 8(4) . . . . ?
Ru1A C5A' C6A' C1A' 65(2) . . . . ?
C4A' C5A' C6A' Ru1A -56(3) . . . . ?
C2A' C1A' C7A' C9A' -16(2) . . . . ?
C6A' C1A' C7A' C9A' 162.9(19) . . . . ?
Ru1A C1A' C7A' C9A' 78.1(9) . . . . ?
C2A' C1A' C7A' C8A' 105(2) . . . . ?
C6A' C1A' C7A' C8A' -76(2) . . . . ?
Ru1A C1A' C7A' C8A' -160.7(7) . . . . ?
P2A N1A C11A C12A 62.2(3) . . . . ?
P1A N1A C11A C12A -145.8(2) . . . . ?
P2A N1A C11A C13A -64.2(3) . . . . ?
P1A N1A C11A C13A 87.9(3) . . . . ?
N1A P1A C14A C19A 86.4(2) . . . . ?
C20A P1A C14A C19A -26.5(2) . . . . ?
Ru1A P1A C14A C19A -163.85(18) . . . . ?
P2A P1A C14A C19A 128.6(2) . . . . ?
N1A P1A C14A C15A -90.9(2) . . . . ?
C20A P1A C14A C15A 156.3(2) . . . . ?
Ru1A P1A C14A C15A 18.9(3) . . . . ?
P2A P1A C14A C15A -48.6(2) . . . . ?
C19A C14A C15A C16A 2.6(4) . . . . ?
P1A C14A C15A C16A 179.9(2) . . . . ?
C14A C15A C16A C17A -1.4(4) . . . . ?
C15A C16A C17A C18A -1.5(4) . . . . ?
C16A C17A C18A C19A 3.1(4) . . . . ?
C17A C18A C19A C14A -1.9(4) . . . . ?
C15A C14A C19A C18A -0.9(4) . . . . ?
P1A C14A C19A C18A -178.2(2) . . . . ?
N1A P1A C20A C25A 2.6(2) . . . . ?
C14A P1A C20A C25A 116.1(2) . . . . ?
Ru1A P1A C20A C25A -105.4(2) . . . . ?
P2A P1A C20A C25A -35.8(3) . . . . ?
N1A P1A C20A C21A -174.6(2) . . . . ?
C14A P1A C20A C21A -61.1(2) . . . . ?
Ru1A P1A C20A C21A 77.4(2) . . . . ?
P2A P1A C20A C21A 146.96(17) . . . . ?
C25A C20A C21A C22A -1.4(4) . . . . ?
P1A C20A C21A C22A 175.9(2) . . . . ?
C20A C21A C22A C23A -0.8(4) . . . . ?
C21A C22A C23A C24A 1.8(4) . . . . ?
C22A C23A C24A C25A -0.7(4) . . . . ?
C21A C20A C25A C24A 2.5(4) . . . . ?
P1A C20A C25A C24A -174.7(2) . . . . ?
C23A C24A C25A C20A -1.5(4) . . . . ?
N1A P2A C26A C27A 84.2(2) . . . . ?
C32A P2A C26A C27A -157.1(2) . . . . ?
Ru1A P2A C26A C27A -24.9(2) . . . . ?
P1A P2A C26A C27A 42.8(2) . . . . ?
N1A P2A C26A C31A -88.6(2) . . . . ?
C32A P2A C26A C31A 30.2(2) . . . . ?
Ru1A P2A C26A C31A 162.34(16) . . . . ?
P1A P2A C26A C31A -129.94(18) . . . . ?
C31A C26A C27A C28A 1.5(4) . . . . ?
P2A C26A C27A C28A -171.3(2) . . . . ?
C26A C27A C28A C29A 1.1(4) . . . . ?
C27A C28A C29A C30A -2.7(4) . . . . ?
C28A C29A C30A C31A 1.7(4) . . . . ?
C29A C30A C31A C26A 0.8(4) . . . . ?
C27A C26A C31A C30A -2.4(4) . . . . ?
P2A C26A C31A C30A 170.5(2) . . . . ?
N1A P2A C32A C33A -20.8(3) . . . . ?
C26A P2A C32A C33A -135.2(2) . . . . ?
Ru1A P2A C32A C33A 86.9(2) . . . . ?
P1A P2A C32A C33A 22.1(3) . . . . ?
N1A P2A C32A C37A 167.50(19) . . . . ?
C26A P2A C32A C37A 53.1(2) . . . . ?
Ru1A P2A C32A C37A -84.8(2) . . . . ?
P1A P2A C32A C37A -149.54(16) . . . . ?
C37A C32A C33A C34A -1.2(4) . . . . ?
P2A C32A C33A C34A -172.7(2) . . . . ?
C32A C33A C34A C35A 2.6(4) . . . . ?
C33A C34A C35A C36A -2.1(4) . . . . ?
C34A C35A C36A C37A 0.3(4) . . . . ?
C35A C36A C37A C32A 1.0(4) . . . . ?
C33A C32A C37A C36A -0.6(4) . . . . ?
P2A C32A C37A C36A 171.6(2) . . . . ?
C20B P1B N1B C11" -77.5(8) . . . . ?
C14B P1B N1B C11" 33.8(8) . . . . ?
Ru1B P1B N1B C11" 160.5(8) . . . . ?
P2B P1B N1B C11" 152.7(8) . . . . ?
C20B P1B N1B C11B -71.2(3) . . . . ?
C14B P1B N1B C11B 40.1(3) . . . . ?
Ru1B P1B N1B C11B 166.8(2) . . . . ?
P2B P1B N1B C11B 159.0(3) . . . . ?
C20B P1B N1B P2B 129.86(11) . . . . ?
C14B P1B N1B P2B -118.85(12) . . . . ?
Ru1B P1B N1B P2B 7.86(10) . . . . ?
C32B P2B N1B C11" 70.9(7) . . . . ?
C26B P2B N1B C11" -40.6(7) . . . . ?
Ru1B P2B N1B C11" -168.9(6) . . . . ?
P1B P2B N1B C11" -161.1(7) . . . . ?
C32B P2B N1B C11B 78.7(3) . . . . ?
C26B P2B N1B C11B -32.8(3) . . . . ?
Ru1B P2B N1B C11B -161.1(3) . . . . ?
P1B P2B N1B C11B -153.3(4) . . . . ?
C32B P2B N1B P1B -127.99(12) . . . . ?
C26B P2B N1B P1B 120.48(13) . . . . ?
Ru1B P2B N1B P1B -7.82(10) . . . . ?
C6B C1B C2B C3B -0.6(4) . . . . ?
C7B C1B C2B C3B -179.8(2) . . . . ?
Ru1B C1B C2B C3B -53.7(2) . . . . ?
C6B C1B C2B Ru1B 53.1(2) . . . . ?
C7B C1B C2B Ru1B -126.2(2) . . . . ?
C1B C2B C3B C4B -2.5(4) . . . . ?
Ru1B C2B C3B C4B -56.5(2) . . . . ?
C1B C2B C3B Ru1B 54.0(2) . . . . ?
C2B C3B C4B C5B 2.5(4) . . . . ?
Ru1B C3B C4B C5B -53.7(2) . . . . ?
C2B C3B C4B C10B -175.4(2) . . . . ?
Ru1B C3B C4B C10B 128.4(2) . . . . ?
C2B C3B C4B Ru1B 56.2(2) . . . . ?
C3B C4B C5B C6B 0.5(4) . . . . ?
C10B C4B C5B C6B 178.4(3) . . . . ?
Ru1B C4B C5B C6B -53.7(2) . . . . ?
C3B C4B C5B Ru1B 54.2(2) . . . . ?
C10B C4B C5B Ru1B -127.9(3) . . . . ?
C4B C5B C6B C1B -3.7(4) . . . . ?
Ru1B C5B C6B C1B -59.0(2) . . . . ?
C4B C5B C6B Ru1B 55.3(2) . . . . ?
C2B C1B C6B C5B 3.7(4) . . . . ?
C7B C1B C6B C5B -177.0(2) . . . . ?
Ru1B C1B C6B C5B 58.4(2) . . . . ?
C2B C1B C6B Ru1B -54.7(2) . . . . ?
C7B C1B C6B Ru1B 124.6(2) . . . . ?
C2B C1B C7B C9B 19.3(4) . . . . ?
C6B C1B C7B C9B -160.0(2) . . . . ?
Ru1B C1B C7B C9B -73.8(3) . . . . ?
C2B C1B C7B C8B -105.2(3) . . . . ?
C6B C1B C7B C8B 75.5(3) . . . . ?
Ru1B C1B C7B C8B 161.67(19) . . . . ?
P1B N1B C11B C12B 145.1(3) . . . . ?
P2B N1B C11B C12B -65.6(5) . . . . ?
P1B N1B C11B C13B -89.0(8) . . . . ?
P2B N1B C11B C13B 60.3(8) . . . . ?
P1B N1B C11" C12" 67.0(14) . . . . ?
P2B N1B C11" C12" -143.2(8) . . . . ?
P1B N1B C11" C13" -56(2) . . . . ?
P2B N1B C11" C13" 93(2) . . . . ?
N1B P1B C14B C15B 85.7(2) . . . . ?
C20B P1B C14B C15B -159.8(2) . . . . ?
Ru1B P1B C14B C15B -22.7(2) . . . . ?
P2B P1B C14B C15B 44.3(2) . . . . ?
N1B P1B C14B C19B -83.3(2) . . . . ?
C20B P1B C14B C19B 31.3(2) . . . . ?
Ru1B P1B C14B C19B 168.33(18) . . . . ?
P2B P1B C14B C19B -124.7(2) . . . . ?
C19B C14B C15B C16B 1.7(4) . . . . ?
P1B C14B C15B C16B -167.4(2) . . . . ?
C14B C15B C16B C17B -0.1(4) . . . . ?
C15B C16B C17B C18B -1.2(4) . . . . ?
C16B C17B C18B C19B 0.8(5) . . . . ?
C17B C18B C19B C14B 0.8(5) . . . . ?
C15B C14B C19B C18B -2.1(4) . . . . ?
P1B C14B C19B C18B 167.0(2) . . . . ?
N1B P1B C20B C25B -18.5(2) . . . . ?
C14B P1B C20B C25B -131.3(2) . . . . ?
Ru1B P1B C20B C25B 89.1(2) . . . . ?
P2B P1B C20B C25B 21.7(3) . . . . ?
N1B P1B C20B C21B 170.40(19) . . . . ?
C14B P1B C20B C21B 57.7(2) . . . . ?
Ru1B P1B C20B C21B -82.0(2) . . . . ?
P2B P1B C20B C21B -149.34(16) . . . . ?
C25B C20B C21B C22B -2.3(4) . . . . ?
P1B C20B C21B C22B 169.1(2) . . . . ?
C20B C21B C22B C23B 1.8(4) . . . . ?
C21B C22B C23B C24B 0.4(4) . . . . ?
C22B C23B C24B C25B -2.0(4) . . . . ?
C21B C20B C25B C24B 0.7(4) . . . . ?
P1B C20B C25B C24B -170.2(2) . . . . ?
C23B C24B C25B C20B 1.4(4) . . . . ?
N1B P2B C26B C31B -80.3(3) . . . . ?
C32B P2B C26B C31B 162.1(2) . . . . ?
Ru1B P2B C26B C31B 28.8(3) . . . . ?
P1B P2B C26B C31B -39.0(3) . . . . ?
N1B P2B C26B C27B 91.7(3) . . . . ?
C32B P2B C26B C27B -25.9(3) . . . . ?
Ru1B P2B C26B C27B -159.2(2) . . . . ?
P1B P2B C26B C27B 133.0(2) . . . . ?
C31B C26B C27B C28B 1.6(5) . . . . ?
P2B C26B C27B C28B -170.4(3) . . . . ?
C26B C27B C28B C29B -1.1(6) . . . . ?
C27B C28B C29B C30B -0.1(6) . . . . ?
C28B C29B C30B C31B 0.7(6) . . . . ?
C27B C26B C31B C30B -1.1(5) . . . . ?
P2B C26B C31B C30B 171.0(2) . . . . ?
C29B C30B C31B C26B -0.1(5) . . . . ?
N1B P2B C32B C37B 0.9(3) . . . . ?
C26B P2B C32B C37B 115.0(3) . . . . ?
Ru1B P2B C32B C37B -106.8(2) . . . . ?
P1B P2B C32B C37B -41.4(3) . . . . ?
N1B P2B C32B C33B 177.1(2) . . . . ?
C26B P2B C32B C33B -68.8(2) . . . . ?
Ru1B P2B C32B C33B 69.4(2) . . . . ?
P1B P2B C32B C33B 134.80(18) . . . . ?
C37B C32B C33B C34B -1.3(4) . . . . ?
P2B C32B C33B C34B -177.7(2) . . . . ?
C32B C33B C34B C35B -1.1(4) . . . . ?
C33B C34B C35B C36B 1.9(5) . . . . ?
C34B C35B C36B C37B -0.2(5) . . . . ?
C33B C32B C37B C36B 3.0(4) . . . . ?
P2B C32B C37B C36B 179.0(2) . . . . ?
C35B C36B C37B C32B -2.2(5) . . . . ?

_refine_diff_density_max         0.435
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.061
