# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_NW112_0m
_database_code_depnum_ccdc_archive 'CCDC 2036977'
loop_
_audit_author_name
_audit_author_address
'Dr. Hartmut Schubert'
;Universitaet Tuebingen
Germany
;
_audit_update_record             
;
2020-10-14 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H53 Cl P2 Ru'
_chemical_formula_weight         600.17

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 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'

_cell_length_a                   8.3945(2)
_cell_length_b                   21.4072(5)
_cell_length_c                   16.9249(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.5880(10)
_cell_angle_gamma                90
_cell_volume                     3027.00(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9859
_cell_measurement_theta_min      2.62
_cell_measurement_theta_max      28.28

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_F_000             1272
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    0.727
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6920
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            25834
_diffrn_reflns_av_unetI/netI     0.0428
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.078
_diffrn_reflns_theta_max         28.321
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             7213
_reflns_number_gt                6809
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_max     0.917
_reflns_Friedel_fraction_full    0.974

_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'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_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)+(0.0259P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3104 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         7213
_refine_ls_number_parameters     318
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0526
_refine_ls_wR_factor_gt          0.0515
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.011
_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 -0.00160(2) 0.06124(2) 0.25009(2) 0.00973(6) Uani 1 1 d D . . . .
P1 P -0.08491(10) -0.02645(4) 0.17391(5) 0.01125(17) Uani 1 1 d . . . . .
Cl1 Cl -0.17423(10) 0.04264(4) 0.35600(5) 0.02013(18) Uani 1 1 d . . . . .
C1 C 0.2916(4) 0.08967(16) -0.01413(19) 0.0183(7) Uani 1 1 d . . . . .
P2 P 0.08903(10) 0.15827(4) 0.29977(5) 0.01095(17) Uani 1 1 d . . . . .
C2 C 0.3940(5) 0.05452(17) -0.0568(2) 0.0253(10) Uani 1 1 d . . . . .
H2 H 0.3534 0.0186 -0.0849 0.030 Uiso 1 1 calc R U . . .
C3 C 0.5526(5) 0.07070(17) -0.0594(2) 0.0291(9) Uani 1 1 d . . . . .
H3 H 0.6200 0.0461 -0.0890 0.035 Uiso 1 1 calc R U . . .
C4 C 0.6126(5) 0.12259(18) -0.0188(2) 0.0272(9) Uani 1 1 d . . . . .
H4 H 0.7219 0.1338 -0.0198 0.033 Uiso 1 1 calc R U . . .
C5 C 0.5125(4) 0.15867(16) 0.0239(2) 0.0220(8) Uani 1 1 d . . . . .
H5 H 0.5542 0.1947 0.0515 0.026 Uiso 1 1 calc R U . . .
C6 C 0.3522(4) 0.14269(15) 0.02661(19) 0.0169(7) Uani 1 1 d . . . . .
C7 C 0.2473(4) 0.17989(15) 0.07608(19) 0.0164(7) Uani 1 1 d . . . . .
H7A H 0.1462 0.1900 0.0435 0.020 Uiso 1 1 calc R U . . .
H7AB H 0.3016 0.2198 0.0914 0.020 Uiso 1 1 calc R U . . .
C8 C 0.2072(4) 0.14552(14) 0.15225(19) 0.0135(7) Uani 1 1 d . . . . .
H8 H 0.3069 0.1241 0.1754 0.016 Uiso 1 1 calc R U . . .
C9 C 0.0738(4) 0.09575(14) 0.14089(17) 0.0120(6) Uani 1 1 d . . . . .
H9 H -0.0213 0.1193 0.1162 0.014 Uiso 1 1 calc R U . . .
C10 C 0.1015(4) 0.04447(15) 0.07949(18) 0.0139(7) Uani 1 1 d . . . . .
H10 H 0.2013 0.0215 0.0992 0.017 Uiso 1 1 calc R U . . .
C11 C 0.1229(4) 0.06838(15) -0.00554(19) 0.0182(7) Uani 1 1 d . . . . .
H11A H 0.0944 0.0345 -0.0441 0.022 Uiso 1 1 calc R U . . .
H11B H 0.0485 0.1036 -0.0184 0.022 Uiso 1 1 calc R U . . .
H101 H 0.091(5) 0.028(2) 0.322(2) 0.074(17) Uiso 1 1 d D . . . .
H100 H 0.177(3) 0.0435(16) 0.249(2) 0.023(10) Uiso 1 1 d D . . . .
C13 C 0.1633(4) 0.19499(15) 0.2123(2) 0.0141(7) Uani 1 1 d . . . . .
H13A H 0.0800 0.2231 0.1866 0.017 Uiso 1 1 calc R U . . .
H13B H 0.2589 0.2205 0.2292 0.017 Uiso 1 1 calc R U . . .
C12 C -0.0365(4) -0.00264(16) 0.07419(19) 0.0153(7) Uani 1 1 d . . . . .
H12A H -0.0065 -0.0399 0.0444 0.018 Uiso 1 1 calc R U . . .
H12B H -0.1323 0.0163 0.0448 0.018 Uiso 1 1 calc R U . . .
C21 C 0.1960(4) -0.09326(16) 0.1806(2) 0.0217(8) Uani 1 1 d . . . . .
H21A H 0.2579 -0.1306 0.1971 0.033 Uiso 1 1 calc R U . . .
H21B H 0.2400 -0.0571 0.2108 0.033 Uiso 1 1 calc R U . . .
H21C H 0.2020 -0.0860 0.1238 0.033 Uiso 1 1 calc R U . . .
C20 C -0.0455(5) -0.15782(16) 0.1449(2) 0.0245(8) Uani 1 1 d . . . . .
H20A H 0.0270 -0.1936 0.1533 0.037 Uiso 1 1 calc R U . . .
H20B H -0.0541 -0.1457 0.0889 0.037 Uiso 1 1 calc R U . . .
H20C H -0.1515 -0.1693 0.1599 0.037 Uiso 1 1 calc R U . . .
C19 C 0.0180(5) -0.11864(16) 0.2846(2) 0.0212(8) Uani 1 1 d . . . . .
H19A H 0.0836 -0.1558 0.2974 0.032 Uiso 1 1 calc R U . . .
H19B H -0.0924 -0.1268 0.2959 0.032 Uiso 1 1 calc R U . . .
H19C H 0.0611 -0.0834 0.3169 0.032 Uiso 1 1 calc R U . . .
C18 C -0.3663(5) -0.0717(2) 0.0798(2) 0.0275(10) Uani 1 1 d . . . . .
H18A H -0.4833 -0.0749 0.0753 0.041 Uiso 1 1 calc R U . . .
H18B H -0.3197 -0.1136 0.0780 0.041 Uiso 1 1 calc R U . . .
H18C H -0.3335 -0.0467 0.0357 0.041 Uiso 1 1 calc R U . . .
C17 C -0.3622(4) -0.07722(18) 0.2290(2) 0.0246(8) Uani 1 1 d . . . . .
H17A H -0.4792 -0.0757 0.2270 0.037 Uiso 1 1 calc R U . . .
H17B H -0.3153 -0.0589 0.2790 0.037 Uiso 1 1 calc R U . . .
H17C H -0.3272 -0.1207 0.2256 0.037 Uiso 1 1 calc R U . . .
C16 C -0.3830(4) 0.02509(17) 0.1595(2) 0.0257(8) Uani 1 1 d . . . . .
H16A H -0.4992 0.0215 0.1473 0.039 Uiso 1 1 calc R U . . .
H16B H -0.3391 0.0513 0.1194 0.039 Uiso 1 1 calc R U . . .
H16C H -0.3593 0.0441 0.2120 0.039 Uiso 1 1 calc R U . . .
C15 C 0.0206(4) -0.10275(16) 0.1963(2) 0.0149(7) Uani 1 1 d . . . . .
C14 C -0.3071(4) -0.04011(17) 0.1591(2) 0.0184(7) Uani 1 1 d . . . . .
C22 C -0.0749(4) 0.21396(15) 0.32283(19) 0.0144(7) Uani 1 1 d . . . . .
C23 C 0.2613(4) 0.15991(16) 0.37959(19) 0.0168(7) Uani 1 1 d . . . . .
C24 C -0.0321(4) 0.28344(15) 0.3134(2) 0.0206(8) Uani 1 1 d . . . . .
H24A H -0.1203 0.3095 0.3283 0.031 Uiso 1 1 calc R U . . .
H24B H -0.0141 0.2917 0.2580 0.031 Uiso 1 1 calc R U . . .
H24C H 0.0654 0.2932 0.3478 0.031 Uiso 1 1 calc R U . . .
C26 C -0.2180(4) 0.19888(17) 0.2622(2) 0.0196(8) Uani 1 1 d . . . . .
H26A H -0.3038 0.2292 0.2675 0.029 Uiso 1 1 calc R U . . .
H26B H -0.2570 0.1567 0.2720 0.029 Uiso 1 1 calc R U . . .
H26C H -0.1844 0.2011 0.2084 0.029 Uiso 1 1 calc R U . . .
C25 C -0.1262(4) 0.20310(16) 0.4067(2) 0.0199(7) Uani 1 1 d . . . . .
H25A H -0.2240 0.2268 0.4129 0.030 Uiso 1 1 calc R U . . .
H25B H -0.0408 0.2171 0.4463 0.030 Uiso 1 1 calc R U . . .
H25C H -0.1464 0.1585 0.4142 0.030 Uiso 1 1 calc R U . . .
C29 C 0.3138(5) 0.22516(17) 0.4081(2) 0.0266(8) Uani 1 1 d . . . . .
H29A H 0.4098 0.2219 0.4458 0.040 Uiso 1 1 calc R U . . .
H29B H 0.2276 0.2449 0.4343 0.040 Uiso 1 1 calc R U . . .
H29C H 0.3376 0.2506 0.3626 0.040 Uiso 1 1 calc R U . . .
C28 C 0.4045(4) 0.12780(19) 0.3449(2) 0.0251(8) Uani 1 1 d . . . . .
H28A H 0.4947 0.1249 0.3861 0.038 Uiso 1 1 calc R U . . .
H28B H 0.4364 0.1524 0.3003 0.038 Uiso 1 1 calc R U . . .
H28C H 0.3731 0.0858 0.3265 0.038 Uiso 1 1 calc R U . . .
C27 C 0.2175(4) 0.12117(17) 0.45045(19) 0.0206(8) Uani 1 1 d . . . . .
H27A H 0.3121 0.1163 0.4887 0.031 Uiso 1 1 calc R U . . .
H27B H 0.1793 0.0799 0.4319 0.031 Uiso 1 1 calc R U . . .
H27C H 0.1329 0.1425 0.4761 0.031 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 C9 2.142(3) . ?
Ru1 P2 2.3400(8) . ?
Ru1 P1 2.3452(8) . ?
Ru1 Cl1 2.4448(8) . ?
Ru1 H101 1.55(3) . ?
Ru1 H100 1.55(2) . ?
P1 C12 1.846(3) . ?
P1 C15 1.879(3) . ?
P1 C14 1.881(3) . ?
C1 C2 1.396(5) . ?
C1 C6 1.398(5) . ?
C1 C11 1.508(5) . ?
P2 C13 1.838(3) . ?
P2 C23 1.881(3) . ?
P2 C22 1.890(3) . ?
C2 C3 1.381(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.375(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.501(4) . ?
C7 C8 1.550(4) . ?
C7 H7A 0.9900 . ?
C7 H7AB 0.9900 . ?
C8 C13 1.537(4) . ?
C8 C9 1.544(4) . ?
C8 H8 1.0000 . ?
C9 C10 1.545(4) . ?
C9 H9 1.0000 . ?
C10 C12 1.532(5) . ?
C10 C11 1.554(4) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C21 C15 1.534(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 C15 1.536(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C19 C15 1.536(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18 C14 1.542(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 C14 1.532(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C16 C14 1.534(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C22 C26 1.536(5) . ?
C22 C25 1.541(5) . ?
C22 C24 1.542(4) . ?
C23 C29 1.529(5) . ?
C23 C27 1.532(5) . ?
C23 C28 1.549(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
C9 Ru1 P2 83.74(8) . . ?
C9 Ru1 P1 84.20(8) . . ?
P2 Ru1 P1 167.74(3) . . ?
C9 Ru1 Cl1 159.16(9) . . ?
P2 Ru1 Cl1 94.38(3) . . ?
P1 Ru1 Cl1 96.10(3) . . ?
C9 Ru1 H101 131.9(16) . . ?
P2 Ru1 H101 90(2) . . ?
P1 Ru1 H101 99(2) . . ?
Cl1 Ru1 H101 68.8(16) . . ?
C9 Ru1 H100 73.0(13) . . ?
P2 Ru1 H100 86.5(13) . . ?
P1 Ru1 H100 92.0(13) . . ?
Cl1 Ru1 H100 127.7(13) . . ?
H101 Ru1 H100 58.9(17) . . ?
C12 P1 C15 106.43(16) . . ?
C12 P1 C14 102.99(15) . . ?
C15 P1 C14 109.50(16) . . ?
C12 P1 Ru1 101.61(11) . . ?
C15 P1 Ru1 118.40(11) . . ?
C14 P1 Ru1 115.88(12) . . ?
C2 C1 C6 118.7(3) . . ?
C2 C1 C11 121.2(3) . . ?
C6 C1 C11 119.9(3) . . ?
C13 P2 C23 105.84(16) . . ?
C13 P2 C22 101.99(15) . . ?
C23 P2 C22 111.37(15) . . ?
C13 P2 Ru1 102.37(11) . . ?
C23 P2 Ru1 118.36(11) . . ?
C22 P2 Ru1 114.59(11) . . ?
C3 C2 C1 121.7(4) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 120.9(3) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.3(3) . . ?
C5 C6 C7 120.6(3) . . ?
C1 C6 C7 120.0(3) . . ?
C6 C7 C8 113.5(3) . . ?
C6 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
C6 C7 H7AB 108.9 . . ?
C8 C7 H7AB 108.9 . . ?
H7A C7 H7AB 107.7 . . ?
C13 C8 C9 109.9(3) . . ?
C13 C8 C7 108.0(2) . . ?
C9 C8 C7 116.0(3) . . ?
C13 C8 H8 107.6 . . ?
C9 C8 H8 107.6 . . ?
C7 C8 H8 107.6 . . ?
C8 C9 C10 114.8(3) . . ?
C8 C9 Ru1 113.7(2) . . ?
C10 C9 Ru1 114.3(2) . . ?
C8 C9 H9 104.1 . . ?
C10 C9 H9 104.1 . . ?
Ru1 C9 H9 104.1 . . ?
C12 C10 C9 110.2(3) . . ?
C12 C10 C11 108.5(3) . . ?
C9 C10 C11 115.3(3) . . ?
C12 C10 H10 107.5 . . ?
C9 C10 H10 107.5 . . ?
C11 C10 H10 107.5 . . ?
C1 C11 C10 112.5(3) . . ?
C1 C11 H11A 109.1 . . ?
C10 C11 H11A 109.1 . . ?
C1 C11 H11B 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C8 C13 P2 111.1(2) . . ?
C8 C13 H13A 109.4 . . ?
P2 C13 H13A 109.4 . . ?
C8 C13 H13B 109.4 . . ?
P2 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C10 C12 P1 111.1(2) . . ?
C10 C12 H12A 109.4 . . ?
P1 C12 H12A 109.4 . . ?
C10 C12 H12B 109.4 . . ?
P1 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C15 C21 H21A 109.5 . . ?
C15 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C15 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C21 C15 C20 107.7(3) . . ?
C21 C15 C19 107.6(3) . . ?
C20 C15 C19 110.0(3) . . ?
C21 C15 P1 106.9(2) . . ?
C20 C15 P1 114.6(2) . . ?
C19 C15 P1 109.7(3) . . ?
C17 C14 C16 108.2(3) . . ?
C17 C14 C18 110.4(3) . . ?
C16 C14 C18 107.7(3) . . ?
C17 C14 P1 110.3(2) . . ?
C16 C14 P1 105.4(2) . . ?
C18 C14 P1 114.6(3) . . ?
C26 C22 C25 108.3(3) . . ?
C26 C22 C24 108.0(3) . . ?
C25 C22 C24 109.3(3) . . ?
C26 C22 P2 105.5(2) . . ?
C25 C22 P2 111.7(2) . . ?
C24 C22 P2 113.9(2) . . ?
C29 C23 C27 109.3(3) . . ?
C29 C23 C28 108.3(3) . . ?
C27 C23 C28 108.1(3) . . ?
C29 C23 P2 114.9(2) . . ?
C27 C23 P2 109.0(2) . . ?
C28 C23 P2 106.9(2) . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C29 H29A 109.5 . . ?
C23 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C23 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

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
C6 C1 C2 C3 0.3(5) . . . . ?
C11 C1 C2 C3 -174.3(3) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C3 C4 C5 C6 0.5(5) . . . . ?
C4 C5 C6 C1 0.0(5) . . . . ?
C4 C5 C6 C7 176.8(3) . . . . ?
C2 C1 C6 C5 -0.4(5) . . . . ?
C11 C1 C6 C5 174.3(3) . . . . ?
C2 C1 C6 C7 -177.3(3) . . . . ?
C11 C1 C6 C7 -2.6(5) . . . . ?
C5 C6 C7 C8 -106.9(3) . . . . ?
C1 C6 C7 C8 69.9(4) . . . . ?
C6 C7 C8 C13 156.9(3) . . . . ?
C6 C7 C8 C9 -79.3(4) . . . . ?
C13 C8 C9 C10 178.0(3) . . . . ?
C7 C8 C9 C10 55.3(4) . . . . ?
C13 C8 C9 Ru1 -47.7(3) . . . . ?
C7 C8 C9 Ru1 -170.5(2) . . . . ?
C8 C9 C10 C12 179.1(3) . . . . ?
Ru1 C9 C10 C12 45.1(3) . . . . ?
C8 C9 C10 C11 -57.6(4) . . . . ?
Ru1 C9 C10 C11 168.4(2) . . . . ?
C2 C1 C11 C10 107.4(4) . . . . ?
C6 C1 C11 C10 -67.2(4) . . . . ?
C12 C10 C11 C1 -153.4(3) . . . . ?
C9 C10 C11 C1 82.5(4) . . . . ?
C9 C8 C13 P2 45.4(3) . . . . ?
C7 C8 C13 P2 172.7(2) . . . . ?
C23 P2 C13 C8 101.1(3) . . . . ?
C22 P2 C13 C8 -142.3(2) . . . . ?
Ru1 P2 C13 C8 -23.5(3) . . . . ?
C9 C10 C12 P1 -46.4(3) . . . . ?
C11 C10 C12 P1 -173.5(2) . . . . ?
C15 P1 C12 C10 -97.7(2) . . . . ?
C14 P1 C12 C10 147.2(2) . . . . ?
Ru1 P1 C12 C10 26.9(2) . . . . ?
C12 P1 C15 C21 51.0(3) . . . . ?
C14 P1 C15 C21 161.7(2) . . . . ?
Ru1 P1 C15 C21 -62.5(3) . . . . ?
C12 P1 C15 C20 -68.2(3) . . . . ?
C14 P1 C15 C20 42.4(3) . . . . ?
Ru1 P1 C15 C20 178.3(2) . . . . ?
C12 P1 C15 C19 167.5(2) . . . . ?
C14 P1 C15 C19 -81.9(3) . . . . ?
Ru1 P1 C15 C19 54.0(3) . . . . ?
C12 P1 C14 C17 164.4(3) . . . . ?
C15 P1 C14 C17 51.5(3) . . . . ?
Ru1 P1 C14 C17 -85.6(3) . . . . ?
C12 P1 C14 C16 -79.1(3) . . . . ?
C15 P1 C14 C16 168.0(2) . . . . ?
Ru1 P1 C14 C16 30.9(3) . . . . ?
C12 P1 C14 C18 39.1(3) . . . . ?
C15 P1 C14 C18 -73.8(3) . . . . ?
Ru1 P1 C14 C18 149.1(2) . . . . ?
C13 P2 C22 C26 77.8(2) . . . . ?
C23 P2 C22 C26 -169.7(2) . . . . ?
Ru1 P2 C22 C26 -32.0(2) . . . . ?
C13 P2 C22 C25 -164.8(2) . . . . ?
C23 P2 C22 C25 -52.3(3) . . . . ?
Ru1 P2 C22 C25 85.5(2) . . . . ?
C13 P2 C22 C24 -40.4(3) . . . . ?
C23 P2 C22 C24 72.1(3) . . . . ?
Ru1 P2 C22 C24 -150.2(2) . . . . ?
C13 P2 C23 C29 65.5(3) . . . . ?
C22 P2 C23 C29 -44.5(3) . . . . ?
Ru1 P2 C23 C29 179.5(2) . . . . ?
C13 P2 C23 C27 -171.4(2) . . . . ?
C22 P2 C23 C27 78.6(3) . . . . ?
Ru1 P2 C23 C27 -57.4(2) . . . . ?
C13 P2 C23 C28 -54.7(3) . . . . ?
C22 P2 C23 C28 -164.8(2) . . . . ?
Ru1 P2 C23 C28 59.2(2) . . . . ?

_refine_diff_density_max         0.709
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.068

_shelxl_version_number           2014-3



####################################################################### 
# 
# 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_NW57_0ma
_database_code_depnum_ccdc_archive 'CCDC 2036978'
loop_
_audit_author_name
_audit_author_address
'Dr. Hartmut Schubert'
;Universitaet Tuebingen
Germany
;
_audit_update_record             
;
2020-10-14 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H47 Cl P2 Ru'
_chemical_formula_weight         594.12

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/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                   13.4968(5)
_cell_length_b                   17.6039(6)
_cell_length_c                   12.2964(5)
_cell_angle_alpha                90
_cell_angle_beta                 104.829(2)
_cell_angle_gamma                90
_cell_volume                     2824.27(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9912
_cell_measurement_theta_min      3.38
_cell_measurement_theta_max      29.55

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_F_000             1248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    0.779
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            30789
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.360
_diffrn_reflns_theta_max         29.580
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7884
_reflns_number_gt                6944
_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'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_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)+(0.0291P)²+1.5907P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7884
_refine_ls_number_parameters     322
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0620
_refine_ls_wR_factor_gt          0.0593
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_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 0.28854(2) 0.57129(2) 0.24136(2) 0.01198(4) Uani 1 1 d . . . . .
P1 P 0.21509(3) 0.51175(2) 0.37105(3) 0.01351(8) Uani 1 1 d . . . . .
C1 C -0.24959(13) 0.67455(10) 0.00688(16) 0.0250(4) Uani 1 1 d . . . . .
H1 H -0.3202 0.6618 -0.0091 0.030 Uiso 1 1 calc R U . . .
P2 P 0.33638(3) 0.64681(2) 0.10804(3) 0.01322(8) Uani 1 1 d . . . . .
C2 C -0.18256(12) 0.64880(9) 0.10468(15) 0.0216(3) Uani 1 1 d . . . . .
H2 H -0.2086 0.6201 0.1566 0.026 Uiso 1 1 calc R U . . .
C3 C -0.07659(11) 0.66401(8) 0.12936(14) 0.0163(3) Uani 1 1 d . . . . .
C4 C -0.01365(12) 0.63548(9) 0.23529(14) 0.0172(3) Uani 1 1 d . . . . .
H4 H -0.0520(14) 0.6179(10) 0.2809(16) 0.015(4) Uiso 1 1 d . . . . .
C5 C 0.08923(12) 0.62455(8) 0.27389(13) 0.0147(3) Uani 1 1 d . . . . .
C6 C 0.17010(11) 0.63670(8) 0.21402(12) 0.0139(3) Uani 1 1 d . . . . .
C7 C 0.15540(11) 0.69875(8) 0.13056(13) 0.0143(3) Uani 1 1 d . . . . .
C8 C 0.06691(12) 0.72778(8) 0.06491(13) 0.0161(3) Uani 1 1 d . . . . .
H8 H 0.0768 0.7687 0.0185 0.019 Uiso 1 1 calc R U . . .
C9 C -0.03950(11) 0.70819(8) 0.05226(13) 0.0158(3) Uani 1 1 d . . . . .
C10 C -0.11025(12) 0.73589(9) -0.04428(14) 0.0204(3) Uani 1 1 d . . . . .
H10 H -0.0863 0.7673 -0.0951 0.024 Uiso 1 1 calc R U . . .
C11 C -0.21365(13) 0.71880(10) -0.06746(15) 0.0242(3) Uani 1 1 d . . . . .
H11 H -0.2596 0.7374 -0.1341 0.029 Uiso 1 1 calc R U . . .
C13 C 0.25454(11) 0.72937(8) 0.11178(13) 0.0156(3) Uani 1 1 d . . . . .
H13A H 0.2880 0.7641 0.1737 0.019 Uiso 1 1 calc R U . . .
H13B H 0.2412 0.7576 0.0399 0.019 Uiso 1 1 calc R U . . .
C12 C 0.12854(12) 0.58892(9) 0.38897(13) 0.0169(3) Uani 1 1 d . . . . .
H12A H 0.0710 0.5686 0.4164 0.020 Uiso 1 1 calc R U . . .
H12B H 0.1659 0.6269 0.4437 0.020 Uiso 1 1 calc R U . . .
C18 C 0.29413(12) 0.48897(9) 0.51791(13) 0.0176(3) Uani 1 1 d . . . . .
C17 C 0.18597(13) 0.35505(9) 0.32905(14) 0.0214(3) Uani 1 1 d . . . . .
H17A H 0.1428 0.3145 0.2872 0.032 Uiso 1 1 calc R U . . .
H17B H 0.2049 0.3426 0.4094 0.032 Uiso 1 1 calc R U . . .
H17C H 0.2481 0.3600 0.3023 0.032 Uiso 1 1 calc R U . . .
C16 C 0.03195(13) 0.42401(10) 0.35810(16) 0.0254(4) Uani 1 1 d . . . . .
H16A H -0.0104 0.4696 0.3379 0.038 Uiso 1 1 calc R U . . .
H16B H 0.0540 0.4193 0.4402 0.038 Uiso 1 1 calc R U . . .
H16C H -0.0081 0.3791 0.3264 0.038 Uiso 1 1 calc R U . . .
C15 C 0.08956(13) 0.44348(9) 0.18252(14) 0.0199(3) Uani 1 1 d . . . . .
H15A H 0.1487 0.4437 0.1499 0.030 Uiso 1 1 calc R U . . .
H15B H 0.0541 0.4925 0.1681 0.030 Uiso 1 1 calc R U . . .
H15C H 0.0424 0.4027 0.1482 0.030 Uiso 1 1 calc R U . . .
C14 C 0.12661(12) 0.43022(8) 0.31078(14) 0.0176(3) Uani 1 1 d . . . . .
C19 C 0.23194(14) 0.45576(11) 0.59477(14) 0.0247(3) Uani 1 1 d . . . . .
H19A H 0.1743 0.4895 0.5953 0.037 Uiso 1 1 calc R U . . .
H19B H 0.2759 0.4509 0.6714 0.037 Uiso 1 1 calc R U . . .
H19C H 0.2058 0.4056 0.5669 0.037 Uiso 1 1 calc R U . . .
C20 C 0.38176(13) 0.43484(10) 0.51033(14) 0.0228(3) Uani 1 1 d . . . . .
H20A H 0.3542 0.3837 0.4907 0.034 Uiso 1 1 calc R U . . .
H20B H 0.4328 0.4333 0.5831 0.034 Uiso 1 1 calc R U . . .
H20C H 0.4141 0.4531 0.4524 0.034 Uiso 1 1 calc R U . . .
C21 C 0.34397(15) 0.56357(10) 0.57031(15) 0.0267(4) Uani 1 1 d . . . . .
H21A H 0.3768 0.5888 0.5176 0.040 Uiso 1 1 calc R U . . .
H21B H 0.3956 0.5524 0.6405 0.040 Uiso 1 1 calc R U . . .
H21C H 0.2913 0.5970 0.5862 0.040 Uiso 1 1 calc R U . . .
C22 C 0.29050(12) 0.61009(9) -0.04112(13) 0.0183(3) Uani 1 1 d . . . . .
C23 C 0.19798(13) 0.55810(9) -0.04377(14) 0.0216(3) Uani 1 1 d . . . . .
H23A H 0.1690 0.5401 -0.1208 0.032 Uiso 1 1 calc R U . . .
H23B H 0.1458 0.5866 -0.0182 0.032 Uiso 1 1 calc R U . . .
H23C H 0.2204 0.5145 0.0060 0.032 Uiso 1 1 calc R U . . .
C24 C 0.25480(14) 0.67271(10) -0.12958(14) 0.0261(4) Uani 1 1 d . . . . .
H24A H 0.2366 0.6500 -0.2049 0.039 Uiso 1 1 calc R U . . .
H24B H 0.3102 0.7095 -0.1245 0.039 Uiso 1 1 calc R U . . .
H24C H 0.1948 0.6985 -0.1158 0.039 Uiso 1 1 calc R U . . .
C26 C 0.46933(12) 0.68800(9) 0.13513(14) 0.0185(3) Uani 1 1 d . . . . .
C27 C 0.48896(13) 0.73519(11) 0.24355(16) 0.0272(4) Uani 1 1 d . . . . .
H27A H 0.5614 0.7497 0.2670 0.041 Uiso 1 1 calc R U . . .
H27B H 0.4715 0.7050 0.3030 0.041 Uiso 1 1 calc R U . . .
H27C H 0.4464 0.7811 0.2299 0.041 Uiso 1 1 calc R U . . .
C28 C 0.54697(12) 0.62250(10) 0.15602(15) 0.0235(3) Uani 1 1 d . . . . .
H28A H 0.5439 0.5963 0.0849 0.035 Uiso 1 1 calc R U . . .
H28B H 0.5305 0.5866 0.2098 0.035 Uiso 1 1 calc R U . . .
H28C H 0.6161 0.6428 0.1867 0.035 Uiso 1 1 calc R U . . .
C29 C 0.48536(13) 0.73922(10) 0.04059(16) 0.0257(4) Uani 1 1 d . . . . .
H29A H 0.4820 0.7086 -0.0268 0.038 Uiso 1 1 calc R U . . .
H29B H 0.5526 0.7637 0.0644 0.038 Uiso 1 1 calc R U . . .
H29C H 0.4317 0.7781 0.0236 0.038 Uiso 1 1 calc R U . . .
C25 C 0.37297(14) 0.56113(11) -0.07227(15) 0.0263(4) Uani 1 1 d . . . . .
H25A H 0.3433 0.5347 -0.1433 0.039 Uiso 1 1 calc R U . . .
H25B H 0.3988 0.5238 -0.0127 0.039 Uiso 1 1 calc R U . . .
H25C H 0.4295 0.5936 -0.0808 0.039 Uiso 1 1 calc R U . . .
Cl1 Cl 0.38234(3) 0.46000(2) 0.20590(3) 0.01953(10) Uani 0.9730(11) 1 d . . P A
1
H100 H 0.3448(19) 0.6331(15) 0.345(2) 0.046(7) Uiso 1 1 d . . . B 1
Cl2 Cl 0.3600(12) 0.6574(8) 0.3863(13) 0.01953(10) Uani 0.0270(11) 1 d . . P A
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 C6 1.9286(15) . ?
Ru1 P2 2.3267(4) . ?
Ru1 P1 2.3311(4) . ?
Ru1 Cl2 2.351(17) . ?
Ru1 Cl1 2.4318(4) . ?
Ru1 H100 1.70(3) . ?
P1 C12 1.8413(15) . ?
P1 C18 1.8904(16) . ?
P1 C14 1.8927(16) . ?
C1 C11 1.380(3) . ?
C1 C2 1.383(3) . ?
C1 H1 0.9500 . ?
P2 C13 1.8332(15) . ?
P2 C26 1.8844(16) . ?
P2 C22 1.8931(16) . ?
C2 C3 1.410(2) . ?
C2 H2 0.9500 . ?
C3 C9 1.413(2) . ?
C3 C4 1.451(2) . ?
C4 C5 1.361(2) . ?
C4 H4 0.909(19) . ?
C5 C6 1.480(2) . ?
C5 C12 1.514(2) . ?
C6 C7 1.477(2) . ?
C7 C8 1.359(2) . ?
C7 C13 1.514(2) . ?
C8 C9 1.446(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.407(2) . ?
C10 C11 1.384(2) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C18 C19 1.532(2) . ?
C18 C21 1.540(2) . ?
C18 C20 1.540(2) . ?
C17 C14 1.533(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C16 C14 1.537(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C15 C14 1.545(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C25 1.532(2) . ?
C22 C24 1.537(2) . ?
C22 C23 1.542(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 C29 1.530(2) . ?
C26 C28 1.535(2) . ?
C26 C27 1.535(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?

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
C6 Ru1 P2 84.44(4) . . ?
C6 Ru1 P1 84.78(4) . . ?
P2 Ru1 P1 169.183(14) . . ?
C6 Ru1 Cl2 84.7(3) . . ?
P2 Ru1 Cl2 91.8(4) . . ?
P1 Ru1 Cl2 86.3(3) . . ?
C6 Ru1 Cl1 153.65(5) . . ?
P2 Ru1 Cl1 94.757(14) . . ?
P1 Ru1 Cl1 95.307(14) . . ?
C6 Ru1 H100 86.6(8) . . ?
P2 Ru1 H100 90.6(9) . . ?
P1 Ru1 H100 87.9(8) . . ?
Cl1 Ru1 H100 119.8(8) . . ?
C12 P1 C18 105.21(7) . . ?
C12 P1 C14 104.50(7) . . ?
C18 P1 C14 111.01(7) . . ?
C12 P1 Ru1 98.28(5) . . ?
C18 P1 Ru1 120.93(5) . . ?
C14 P1 Ru1 114.16(5) . . ?
C11 C1 C2 119.89(15) . . ?
C11 C1 H1 120.1 . . ?
C2 C1 H1 120.1 . . ?
C13 P2 C26 104.07(7) . . ?
C13 P2 C22 104.19(7) . . ?
C26 P2 C22 111.30(7) . . ?
C13 P2 Ru1 99.07(5) . . ?
C26 P2 Ru1 121.25(5) . . ?
C22 P2 Ru1 113.99(5) . . ?
C1 C2 C3 121.77(16) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C2 C3 C9 118.31(15) . . ?
C2 C3 C4 117.13(14) . . ?
C9 C3 C4 124.51(14) . . ?
C5 C4 C3 132.27(14) . . ?
C5 C4 H4 115.3(12) . . ?
C3 C4 H4 112.2(12) . . ?
C4 C5 C6 128.50(14) . . ?
C4 C5 C12 117.81(13) . . ?
C6 C5 C12 113.46(13) . . ?
C7 C6 C5 117.87(13) . . ?
C7 C6 Ru1 121.37(10) . . ?
C5 C6 Ru1 120.73(10) . . ?
C8 C7 C6 129.23(13) . . ?
C8 C7 C13 116.89(13) . . ?
C6 C7 C13 113.73(13) . . ?
C7 C8 C9 132.22(14) . . ?
C7 C8 H8 113.9 . . ?
C9 C8 H8 113.9 . . ?
C10 C9 C3 118.46(14) . . ?
C10 C9 C8 116.68(14) . . ?
C3 C9 C8 124.86(14) . . ?
C11 C10 C9 121.96(16) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C1 C11 C10 119.54(16) . . ?
C1 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C7 C13 P2 106.45(10) . . ?
C7 C13 H13A 110.4 . . ?
P2 C13 H13A 110.4 . . ?
C7 C13 H13B 110.4 . . ?
P2 C13 H13B 110.4 . . ?
H13A C13 H13B 108.6 . . ?
C5 C12 P1 105.97(10) . . ?
C5 C12 H12A 110.5 . . ?
P1 C12 H12A 110.5 . . ?
C5 C12 H12B 110.5 . . ?
P1 C12 H12B 110.5 . . ?
H12A C12 H12B 108.7 . . ?
C19 C18 C21 108.49(14) . . ?
C19 C18 C20 110.59(13) . . ?
C21 C18 C20 107.04(14) . . ?
C19 C18 P1 113.96(11) . . ?
C21 C18 P1 107.35(11) . . ?
C20 C18 P1 109.14(11) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C14 C16 109.68(13) . . ?
C17 C14 C15 107.48(13) . . ?
C16 C14 C15 108.29(14) . . ?
C17 C14 P1 110.08(11) . . ?
C16 C14 P1 114.07(11) . . ?
C15 C14 P1 106.98(10) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C25 C22 C24 110.05(14) . . ?
C25 C22 C23 107.28(14) . . ?
C24 C22 C23 107.78(14) . . ?
C25 C22 P2 110.85(11) . . ?
C24 C22 P2 113.97(11) . . ?
C23 C22 P2 106.58(10) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C29 C26 C28 110.29(13) . . ?
C29 C26 C27 108.33(14) . . ?
C28 C26 C27 107.61(14) . . ?
C29 C26 P2 113.95(11) . . ?
C28 C26 P2 108.60(11) . . ?
C27 C26 P2 107.85(11) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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 C1 C2 C3 -2.5(3) . . . . ?
C1 C2 C3 C9 1.3(2) . . . . ?
C1 C2 C3 C4 178.87(15) . . . . ?
C2 C3 C4 C5 162.96(16) . . . . ?
C9 C3 C4 C5 -19.7(3) . . . . ?
C3 C4 C5 C6 -2.6(3) . . . . ?
C3 C4 C5 C12 -176.62(15) . . . . ?
C4 C5 C6 C7 32.8(2) . . . . ?
C12 C5 C6 C7 -152.95(13) . . . . ?
C4 C5 C6 Ru1 -145.30(14) . . . . ?
C12 C5 C6 Ru1 28.93(17) . . . . ?
C5 C6 C7 C8 -29.9(2) . . . . ?
Ru1 C6 C7 C8 148.24(14) . . . . ?
C5 C6 C7 C13 154.79(13) . . . . ?
Ru1 C6 C7 C13 -27.10(17) . . . . ?
C6 C7 C8 C9 -1.4(3) . . . . ?
C13 C7 C8 C9 173.83(15) . . . . ?
C2 C3 C9 C10 1.1(2) . . . . ?
C4 C3 C9 C10 -176.27(14) . . . . ?
C2 C3 C9 C8 -179.16(14) . . . . ?
C4 C3 C9 C8 3.5(2) . . . . ?
C7 C8 C9 C10 -163.29(16) . . . . ?
C7 C8 C9 C3 16.9(3) . . . . ?
C3 C9 C10 C11 -2.4(2) . . . . ?
C8 C9 C10 C11 177.81(15) . . . . ?
C2 C1 C11 C10 1.2(3) . . . . ?
C9 C10 C11 C1 1.3(2) . . . . ?
C8 C7 C13 P2 -134.45(12) . . . . ?
C6 C7 C13 P2 41.50(15) . . . . ?
C26 P2 C13 C7 -161.07(10) . . . . ?
C22 P2 C13 C7 82.21(11) . . . . ?
Ru1 P2 C13 C7 -35.50(10) . . . . ?
C4 C5 C12 P1 130.82(13) . . . . ?
C6 C5 C12 P1 -44.08(15) . . . . ?
C18 P1 C12 C5 162.63(10) . . . . ?
C14 P1 C12 C5 -80.37(11) . . . . ?
Ru1 P1 C12 C5 37.33(10) . . . . ?
C12 P1 C18 C19 65.67(13) . . . . ?
C14 P1 C18 C19 -46.81(13) . . . . ?
Ru1 P1 C18 C19 175.36(10) . . . . ?
C12 P1 C18 C21 -54.49(13) . . . . ?
C14 P1 C18 C21 -166.96(11) . . . . ?
Ru1 P1 C18 C21 55.20(12) . . . . ?
C12 P1 C18 C20 -170.17(11) . . . . ?
C14 P1 C18 C20 77.36(12) . . . . ?
Ru1 P1 C18 C20 -60.48(12) . . . . ?
C12 P1 C14 C17 -160.45(11) . . . . ?
C18 P1 C14 C17 -47.52(13) . . . . ?
Ru1 P1 C14 C17 93.35(11) . . . . ?
C12 P1 C14 C16 -36.67(14) . . . . ?
C18 P1 C14 C16 76.26(13) . . . . ?
Ru1 P1 C14 C16 -142.87(11) . . . . ?
C12 P1 C14 C15 83.06(11) . . . . ?
C18 P1 C14 C15 -164.01(10) . . . . ?
Ru1 P1 C14 C15 -23.14(12) . . . . ?
C13 P2 C22 C25 159.05(12) . . . . ?
C26 P2 C22 C25 47.47(14) . . . . ?
Ru1 P2 C22 C25 -94.06(11) . . . . ?
C13 P2 C22 C24 34.24(13) . . . . ?
C26 P2 C22 C24 -77.34(13) . . . . ?
Ru1 P2 C22 C24 141.13(11) . . . . ?
C13 P2 C22 C23 -84.52(11) . . . . ?
C26 P2 C22 C23 163.91(10) . . . . ?
Ru1 P2 C22 C23 22.38(12) . . . . ?
C13 P2 C26 C29 -67.19(13) . . . . ?
C22 P2 C26 C29 44.47(14) . . . . ?
Ru1 P2 C26 C29 -177.20(10) . . . . ?
C13 P2 C26 C28 169.45(11) . . . . ?
C22 P2 C26 C28 -78.89(12) . . . . ?
Ru1 P2 C26 C28 59.44(12) . . . . ?
C13 P2 C26 C27 53.11(13) . . . . ?
C22 P2 C26 C27 164.77(11) . . . . ?
Ru1 P2 C26 C27 -56.90(13) . . . . ?

_refine_diff_density_max         0.806
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.070

_shelxl_version_number           2014-3



####################################################################### 
# 
# 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_NW105_0m
_database_code_depnum_ccdc_archive 'CCDC 2036979'
loop_
_audit_author_name
_audit_author_address
'Dr. Hartmut Schubert'
;Universitaet Tuebingen
Germany
;
_audit_update_record             
;
2020-10-14 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C94 H146 Cl6 P6 Ru3'
_chemical_formula_weight         1977.83

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_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'

_cell_length_a                   12.1104(2)
_cell_length_b                   14.1717(3)
_cell_length_c                   14.9865(3)
_cell_angle_alpha                67.4590(10)
_cell_angle_beta                 89.6070(10)
_cell_angle_gamma                88.4290(10)
_cell_volume                     2374.66(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9292
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      30.52

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_F_000             1034
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    0.784
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7213
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            69257
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.731
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             20132
_reflns_number_gt                19390
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.929
_reflns_Friedel_fraction_max     0.924
_reflns_Friedel_fraction_full    0.939

_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'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_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)+(0.0361P)²+0.8728P] 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 8983 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         20132
_refine_ls_number_parameters     1019
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0667
_refine_ls_wR_factor_gt          0.0657
_refine_ls_goodness_of_fit_ref   1.037
_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
Ru1 Ru 0.45224(2) 0.51229(2) 0.54369(2) 0.01171(7) Uani 1 1 d . . . . .
C1 C 0.0627(3) 0.6489(3) 0.5466(3) 0.0196(9) Uani 1 1 d . . . . .
P1 P 0.42867(9) 0.37812(8) 0.69837(7) 0.0133(2) Uani 1 1 d . . . . .
Cl1 Cl 0.56206(8) 0.60163(8) 0.60911(7) 0.0192(2) Uani 1 1 d . . . . .
P2 P 0.43989(9) 0.65462(8) 0.39296(8) 0.0155(2) Uani 1 1 d . . . . .
Ru2 Ru 1.15340(2) 0.18670(2) 0.16963(2) 0.01163(7) Uani 1 1 d . . . . .
C2 C -0.0406(4) 0.6903(4) 0.5027(4) 0.0252(10) Uani 1 1 d . . . . .
H2 H -0.0422 0.7420 0.4395 0.030 Uiso 1 1 calc R U . . .
Cl2 Cl 0.48071(10) 0.39349(8) 0.46846(8) 0.0240(2) Uani 1 1 d . . . . .
Cl3 Cl 1.16702(9) 0.34203(8) 0.03464(7) 0.0225(2) Uani 1 1 d . . . . .
Ru3 Ru 0.84057(2) 0.80727(2) -0.17279(2) 0.01052(7) Uani 1 1 d . . . . .
C3 C -0.1397(4) 0.6564(4) 0.5506(4) 0.0294(11) Uani 1 1 d . . . . .
H3 H -0.2078 0.6850 0.5198 0.035 Uiso 1 1 calc R U . . .
P3 P 1.31273(8) 0.21374(8) 0.24737(7) 0.0134(2) Uani 1 1 d . . . . .
Cl4 Cl 1.20505(8) 0.01140(8) 0.21758(7) 0.0188(2) Uani 1 1 d . . . . .
P4 P 0.97441(8) 0.15498(8) 0.12481(7) 0.0139(2) Uani 1 1 d . . . . .
C4 C -0.1394(4) 0.5822(4) 0.6418(4) 0.0285(11) Uani 1 1 d . . . . .
H4 H -0.2073 0.5597 0.6740 0.034 Uiso 1 1 calc R U . . .
Cl5 Cl 0.83602(12) 0.92115(8) -0.09330(8) 0.0299(3) Uani 1 1 d . . . . .
C5 C -0.0402(4) 0.5394(4) 0.6873(4) 0.0243(10) Uani 1 1 d . . . . .
H5 H -0.0410 0.4886 0.7510 0.029 Uiso 1 1 calc R U . . .
P5 P 0.85804(9) 0.66322(8) -0.02393(7) 0.0128(2) Uani 1 1 d . . . . .
C6 C 0.0622(3) 0.5706(3) 0.6400(3) 0.0194(9) Uani 1 1 d . . . . .
P6 P 0.85435(8) 0.94334(8) -0.32757(7) 0.0118(2) Uani 1 1 d . . . . .
Cl6 Cl 0.72664(8) 0.71872(8) -0.23732(7) 0.0166(2) Uani 1 1 d . . . . .
C7 C 0.1597(3) 0.5226(3) 0.6955(3) 0.0178(9) Uani 1 1 d . . . . .
H7 H 0.1463 0.4865 0.7624 0.021 Uiso 1 1 calc R U . . .
C8 C 0.2672(3) 0.5193(3) 0.6699(3) 0.0152(8) Uani 1 1 d . . . . .
C9 C 0.3175(3) 0.5670(3) 0.5732(3) 0.0145(8) Uani 1 1 d . . . . .
C10 C 0.2692(3) 0.6644(3) 0.5049(3) 0.0171(9) Uani 1 1 d . . . . .
C11 C 0.1606(4) 0.6950(3) 0.4949(3) 0.0193(9) Uani 1 1 d . . . . .
H11 H 0.1468 0.7594 0.4439 0.023 Uiso 1 1 calc R U . . .
C12 C 0.3471(3) 0.4557(3) 0.7485(3) 0.0171(9) Uani 1 1 d . . . . .
H12A H 0.3065 0.4117 0.8064 0.021 Uiso 1 1 calc R U . . .
H12B H 0.3955 0.5004 0.7672 0.021 Uiso 1 1 calc R U . . .
C13 C 0.3509(4) 0.7345(3) 0.4369(3) 0.0192(9) Uani 1 1 d . . . . .
H13A H 0.3955 0.7678 0.4711 0.023 Uiso 1 1 calc R U . . .
H13B H 0.3120 0.7881 0.3823 0.023 Uiso 1 1 calc R U . . .
C22 C 0.5678(4) 0.7299(4) 0.3386(3) 0.0216(9) Uani 1 1 d . . . . .
C21 C 0.2682(4) 0.2271(4) 0.7971(3) 0.0300(11) Uani 1 1 d . . . . .
H21A H 0.2200 0.2809 0.8034 0.045 Uiso 1 1 calc R U . . .
H21B H 0.3192 0.2010 0.8523 0.045 Uiso 1 1 calc R U . . .
H21C H 0.2231 0.1712 0.7958 0.045 Uiso 1 1 calc R U . . .
C20 C 0.2489(4) 0.3148(4) 0.6195(3) 0.0206(9) Uani 1 1 d . . . . .
H20A H 0.2036 0.3686 0.6289 0.031 Uiso 1 1 calc R U . . .
H20B H 0.2014 0.2599 0.6195 0.031 Uiso 1 1 calc R U . . .
H20C H 0.2874 0.3435 0.5575 0.031 Uiso 1 1 calc R U . . .
C19 C 0.4003(4) 0.1852(4) 0.6856(3) 0.0258(10) Uani 1 1 d . . . . .
H19A H 0.3488 0.1359 0.6792 0.039 Uiso 1 1 calc R U . . .
H19B H 0.4499 0.1505 0.7405 0.039 Uiso 1 1 calc R U . . .
H19C H 0.4437 0.2141 0.6263 0.039 Uiso 1 1 calc R U . . .
C18 C 0.5916(4) 0.4024(4) 0.8216(3) 0.0275(11) Uani 1 1 d . . . . .
H18A H 0.6597 0.3761 0.8589 0.041 Uiso 1 1 calc R U . . .
H18B H 0.5356 0.4159 0.8630 0.041 Uiso 1 1 calc R U . . .
H18C H 0.6066 0.4659 0.7666 0.041 Uiso 1 1 calc R U . . .
C17 C 0.6416(4) 0.2976(5) 0.7267(4) 0.0433(16) Uani 1 1 d . . . . .
H17A H 0.6165 0.2467 0.7025 0.065 Uiso 1 1 calc R U . . .
H17B H 0.7063 0.2702 0.7685 0.065 Uiso 1 1 calc R U . . .
H17C H 0.6614 0.3599 0.6722 0.065 Uiso 1 1 calc R U . . .
C16 C 0.5204(5) 0.2295(4) 0.8744(3) 0.0352(12) Uani 1 1 d . . . . .
H16A H 0.5844 0.2087 0.9180 0.053 Uiso 1 1 calc R U . . .
H16B H 0.5007 0.1733 0.8554 0.053 Uiso 1 1 calc R U . . .
H16C H 0.4578 0.2470 0.9075 0.053 Uiso 1 1 calc R U . . .
C15 C 0.3349(4) 0.2713(3) 0.7025(3) 0.0191(9) Uani 1 1 d . . . . .
C14 C 0.5491(4) 0.3227(4) 0.7845(3) 0.0221(10) Uani 1 1 d . . . . .
C23 C 0.3571(4) 0.6371(4) 0.2936(3) 0.0257(11) Uani 1 1 d . . . . .
C24 C 0.6614(4) 0.6493(4) 0.3526(4) 0.0292(11) Uani 1 1 d . . . . .
H24A H 0.6727 0.6095 0.4218 0.044 Uiso 1 1 calc R U . . .
H24B H 0.7297 0.6836 0.3244 0.044 Uiso 1 1 calc R U . . .
H24C H 0.6412 0.6035 0.3206 0.044 Uiso 1 1 calc R U . . .
C25 C 0.5600(5) 0.8027(4) 0.2326(3) 0.0370(13) Uani 1 1 d . . . . .
H25A H 0.6297 0.8384 0.2129 0.055 Uiso 1 1 calc R U . . .
H25B H 0.4996 0.8528 0.2245 0.055 Uiso 1 1 calc R U . . .
H25C H 0.5458 0.7637 0.1924 0.055 Uiso 1 1 calc R U . . .
C27 C 0.4289(4) 0.5853(4) 0.2400(3) 0.0315(12) Uani 1 1 d . . . . .
H27A H 0.4602 0.5208 0.2863 0.047 Uiso 1 1 calc R U . . .
H27B H 0.4889 0.6304 0.2067 0.047 Uiso 1 1 calc R U . . .
H27C H 0.3835 0.5716 0.1926 0.047 Uiso 1 1 calc R U . . .
C26 C 0.5976(4) 0.7961(3) 0.3945(3) 0.0209(9) Uani 1 1 d . . . . .
H26A H 0.6014 0.7536 0.4637 0.031 Uiso 1 1 calc R U . . .
H26B H 0.5410 0.8502 0.3830 0.031 Uiso 1 1 calc R U . . .
H26C H 0.6694 0.8267 0.3726 0.031 Uiso 1 1 calc R U . . .
C28 C 0.3033(5) 0.7368(4) 0.2226(4) 0.0406(14) Uani 1 1 d . . . . .
H28A H 0.2557 0.7672 0.2581 0.061 Uiso 1 1 calc R U . . .
H28B H 0.2590 0.7221 0.1752 0.061 Uiso 1 1 calc R U . . .
H28C H 0.3610 0.7847 0.1891 0.061 Uiso 1 1 calc R U . . .
C29 C 0.2626(4) 0.5646(4) 0.3413(3) 0.0253(10) Uani 1 1 d . . . . .
H29A H 0.2132 0.5962 0.3745 0.038 Uiso 1 1 calc R U . . .
H29B H 0.2934 0.5000 0.3880 0.038 Uiso 1 1 calc R U . . .
H29C H 0.2211 0.5513 0.2916 0.038 Uiso 1 1 calc R U . . .
C100 C 0.8927(3) 0.3365(3) 0.3611(3) 0.0140(8) Uani 1 1 d . . . . .
C101 C 0.7944(4) 0.3541(3) 0.4041(3) 0.0187(9) Uani 1 1 d . . . . .
H101 H 0.7257 0.3403 0.3819 0.022 Uiso 1 1 calc R U . . .
C102 C 0.7946(4) 0.3902(3) 0.4762(3) 0.0234(10) Uani 1 1 d . . . . .
H102 H 0.7269 0.4003 0.5041 0.028 Uiso 1 1 calc R U . . .
C103 C 0.8934(4) 0.4121(4) 0.5089(3) 0.0258(10) Uani 1 1 d . . . . .
H103 H 0.8937 0.4370 0.5595 0.031 Uiso 1 1 calc R U . . .
C104 C 0.9916(4) 0.3977(3) 0.4679(3) 0.0209(9) Uani 1 1 d . . . . .
H104 H 1.0590 0.4144 0.4897 0.025 Uiso 1 1 calc R U . . .
C105 C 0.9938(3) 0.3584(3) 0.3938(3) 0.0169(8) Uani 1 1 d . . . . .
C106 C 1.1011(3) 0.3497(3) 0.3548(3) 0.0168(8) Uani 1 1 d . . . . .
H106 H 1.1588 0.3745 0.3820 0.020 Uiso 1 1 calc R U . . .
C107 C 1.1375(3) 0.3134(3) 0.2872(3) 0.0150(8) Uani 1 1 d . . . . .
C108 C 1.0760(3) 0.2610(3) 0.2359(3) 0.0133(8) Uani 1 1 d . . . . .
C109 C 0.9558(3) 0.2787(3) 0.2246(3) 0.0141(8) Uani 1 1 d . . . . .
C110 C 0.8815(3) 0.3037(3) 0.2818(3) 0.0148(8) Uani 1 1 d . . . . .
H110 H 0.8068 0.2984 0.2657 0.018 Uiso 1 1 calc R U . . .
C111 C 1.2589(3) 0.3295(3) 0.2612(3) 0.0165(8) Uani 1 1 d . . . . .
H11A H 1.2997 0.3413 0.3129 0.020 Uiso 1 1 calc R U . . .
H11B H 1.2675 0.3897 0.2002 0.020 Uiso 1 1 calc R U . . .
C112 C 0.9078(3) 0.2674(3) 0.1367(3) 0.0154(8) Uani 1 1 d . . . . .
H11C H 0.9216 0.3293 0.0783 0.018 Uiso 1 1 calc R U . . .
H11D H 0.8271 0.2585 0.1441 0.018 Uiso 1 1 calc R U . . .
C113 C 1.4498(3) 0.2475(3) 0.1837(3) 0.0179(8) Uani 1 1 d . . . . .
C114 C 1.3374(3) 0.1189(3) 0.3761(3) 0.0162(9) Uani 1 1 d . . . . .
C115 C 1.5447(3) 0.2595(4) 0.2458(3) 0.0255(10) Uani 1 1 d . . . . .
H11E H 1.5620 0.1934 0.2978 0.038 Uiso 1 1 calc R U . . .
H11F H 1.5226 0.3094 0.2737 0.038 Uiso 1 1 calc R U . . .
H11G H 1.6102 0.2834 0.2053 0.038 Uiso 1 1 calc R U . . .
C116 C 1.4800(4) 0.1640(4) 0.1448(3) 0.0269(10) Uani 1 1 d . . . . .
H11H H 1.4897 0.0981 0.1991 0.040 Uiso 1 1 calc R U . . .
H11I H 1.5489 0.1812 0.1081 0.040 Uiso 1 1 calc R U . . .
H11J H 1.4206 0.1596 0.1026 0.040 Uiso 1 1 calc R U . . .
C117 C 1.4362(4) 0.3492(4) 0.0974(3) 0.0295(11) Uani 1 1 d . . . . .
H11K H 1.4179 0.4037 0.1205 0.044 Uiso 1 1 calc R U . . .
H11L H 1.3766 0.3444 0.0555 0.044 Uiso 1 1 calc R U . . .
H11M H 1.5053 0.3646 0.0609 0.044 Uiso 1 1 calc R U . . .
C118 C 1.2260(3) 0.0738(4) 0.4205(3) 0.0209(9) Uani 1 1 d . . . . .
H11N H 1.2370 0.0292 0.4886 0.031 Uiso 1 1 calc R U . . .
H11O H 1.1967 0.0340 0.3854 0.031 Uiso 1 1 calc R U . . .
H11P H 1.1735 0.1294 0.4157 0.031 Uiso 1 1 calc R U . . .
C119 C 1.3847(4) 0.1691(4) 0.4417(3) 0.0234(9) Uani 1 1 d . . . . .
H11Q H 1.4034 0.1163 0.5049 0.035 Uiso 1 1 calc R U . . .
H11R H 1.3295 0.2171 0.4497 0.035 Uiso 1 1 calc R U . . .
H11S H 1.4513 0.2060 0.4121 0.035 Uiso 1 1 calc R U . . .
C121 C 0.9410(3) 0.1640(4) -0.0012(3) 0.0197(9) Uani 1 1 d . . . . .
C120 C 1.4129(3) 0.0288(3) 0.3792(3) 0.0199(9) Uani 1 1 d . . . . .
H12C H 1.4149 -0.0234 0.4450 0.030 Uiso 1 1 calc R U . . .
H12D H 1.4877 0.0530 0.3597 0.030 Uiso 1 1 calc R U . . .
H12E H 1.3844 -0.0008 0.3349 0.030 Uiso 1 1 calc R U . . .
C122 C 0.9011(3) 0.0427(3) 0.2183(3) 0.0180(8) Uani 1 1 d . . . . .
C123 C 1.0258(4) 0.0940(4) -0.0254(3) 0.0266(10) Uani 1 1 d . . . . .
H12F H 1.0204 0.0239 0.0222 0.040 Uiso 1 1 calc R U . . .
H12G H 1.1005 0.1183 -0.0238 0.040 Uiso 1 1 calc R U . . .
H12H H 1.0104 0.0955 -0.0901 0.040 Uiso 1 1 calc R U . . .
C124 C 0.8233(4) 0.1327(4) -0.0136(3) 0.0262(10) Uani 1 1 d . . . . .
H12I H 0.7696 0.1756 0.0040 0.039 Uiso 1 1 calc R U . . .
H12J H 0.8136 0.0609 0.0283 0.039 Uiso 1 1 calc R U . . .
H12K H 0.8116 0.1417 -0.0811 0.039 Uiso 1 1 calc R U . . .
C125 C 0.9544(4) 0.2734(4) -0.0737(3) 0.0297(11) Uani 1 1 d . . . . .
H12L H 1.0289 0.2959 -0.0678 0.044 Uiso 1 1 calc R U . . .
H12M H 0.8997 0.3185 -0.0603 0.044 Uiso 1 1 calc R U . . .
H12N H 0.9434 0.2761 -0.1393 0.044 Uiso 1 1 calc R U . . .
C126 C 0.9238(4) -0.0559(3) 0.1998(3) 0.0242(9) Uani 1 1 d . . . . .
H12O H 0.8927 -0.1141 0.2526 0.036 Uiso 1 1 calc R U . . .
H12P H 1.0037 -0.0671 0.1964 0.036 Uiso 1 1 calc R U . . .
H12Q H 0.8893 -0.0492 0.1386 0.036 Uiso 1 1 calc R U . . .
C127 C 0.7759(3) 0.0620(4) 0.2216(3) 0.0255(10) Uani 1 1 d . . . . .
H12R H 0.7620 0.1208 0.2396 0.038 Uiso 1 1 calc R U . . .
H12S H 0.7423 0.0014 0.2694 0.038 Uiso 1 1 calc R U . . .
H12T H 0.7436 0.0761 0.1578 0.038 Uiso 1 1 calc R U . . .
C128 C 0.9476(3) 0.0239(3) 0.3195(3) 0.0204(9) Uani 1 1 d . . . . .
H12U H 0.9067 -0.0306 0.3684 0.031 Uiso 1 1 calc R U . . .
H12V H 0.9397 0.0868 0.3319 0.031 Uiso 1 1 calc R U . . .
H12W H 1.0259 0.0035 0.3224 0.031 Uiso 1 1 calc R U . . .
C200 C 1.2288(3) 0.6766(3) -0.1875(3) 0.0170(8) Uani 1 1 d . . . . .
C201 C 1.3321(4) 0.6364(4) -0.1447(3) 0.0214(9) Uani 1 1 d . . . . .
H201 H 1.3341 0.5827 -0.0826 0.026 Uiso 1 1 calc R U . . .
C202 C 1.4297(4) 0.6730(4) -0.1906(4) 0.0251(10) Uani 1 1 d . . . . .
H202 H 1.4983 0.6459 -0.1598 0.030 Uiso 1 1 calc R U . . .
C203 C 1.4273(4) 0.7502(4) -0.2828(4) 0.0236(10) Uani 1 1 d . . . . .
H203 H 1.4944 0.7751 -0.3156 0.028 Uiso 1 1 calc R U . . .
C204 C 1.3275(4) 0.7903(4) -0.3259(3) 0.0207(9) Uani 1 1 d . . . . .
H204 H 1.3266 0.8426 -0.3888 0.025 Uiso 1 1 calc R U . . .
C205 C 1.2267(3) 0.7555(3) -0.2792(3) 0.0157(8) Uani 1 1 d . . . . .
C206 C 1.1269(3) 0.8029(3) -0.3326(3) 0.0149(8) Uani 1 1 d . . . . .
H206 H 1.1385 0.8392 -0.3998 0.018 Uiso 1 1 calc R U . . .
C207 C 1.0198(3) 0.8051(3) -0.3049(3) 0.0116(8) Uani 1 1 d . . . . .
C208 C 0.9737(3) 0.7553(3) -0.2079(3) 0.0110(8) Uani 1 1 d . . . . .
C209 C 1.0234(3) 0.6579(3) -0.1427(3) 0.0128(8) Uani 1 1 d . . . . .
C210 C 1.1313(3) 0.6270(3) -0.1342(3) 0.0161(8) Uani 1 1 d . . . . .
H210 H 1.1458 0.5617 -0.0849 0.019 Uiso 1 1 calc R U . . .
C211 C 0.9426(3) 0.5847(3) -0.0729(3) 0.0152(8) Uani 1 1 d . . . . .
H21D H 0.9830 0.5297 -0.0204 0.018 Uiso 1 1 calc R U . . .
H21E H 0.8957 0.5533 -0.1073 0.018 Uiso 1 1 calc R U . . .
C212 C 0.9377(3) 0.8689(3) -0.3811(3) 0.0138(8) Uani 1 1 d . . . . .
H21F H 0.8900 0.8242 -0.4004 0.017 Uiso 1 1 calc R U . . .
H21G H 0.9767 0.9149 -0.4390 0.017 Uiso 1 1 calc R U . . .
C213 C 0.9468(4) 0.6758(4) 0.0752(3) 0.0203(9) Uani 1 1 d . . . . .
C214 C 0.7285(3) 0.5905(3) 0.0297(3) 0.0165(9) Uani 1 1 d . . . . .
C215 C 0.8799(5) 0.7256(4) 0.1329(3) 0.0286(11) Uani 1 1 d . . . . .
H21H H 0.9285 0.7381 0.1790 0.043 Uiso 1 1 calc R U . . .
H21I H 0.8211 0.6800 0.1680 0.043 Uiso 1 1 calc R U . . .
H21J H 0.8471 0.7906 0.0887 0.043 Uiso 1 1 calc R U . . .
C216 C 0.9962(4) 0.5723(4) 0.1438(3) 0.0310(11) Uani 1 1 d . . . . .
H21K H 0.9364 0.5258 0.1745 0.046 Uiso 1 1 calc R U . . .
H21L H 1.0408 0.5825 0.1935 0.046 Uiso 1 1 calc R U . . .
H21M H 1.0429 0.5427 0.1069 0.046 Uiso 1 1 calc R U . . .
C217 C 1.0435(4) 0.7459(4) 0.0279(3) 0.0243(10) Uani 1 1 d . . . . .
H21N H 1.0840 0.7604 0.0774 0.036 Uiso 1 1 calc R U . . .
H21O H 1.0147 0.8101 -0.0209 0.036 Uiso 1 1 calc R U . . .
H21P H 1.0933 0.7118 -0.0028 0.036 Uiso 1 1 calc R U . . .
C218 C 0.7321(4) 0.5201(4) 0.1374(3) 0.0256(10) Uani 1 1 d . . . . .
H21Q H 0.6629 0.4833 0.1552 0.038 Uiso 1 1 calc R U . . .
H21R H 0.7416 0.5613 0.1763 0.038 Uiso 1 1 calc R U . . .
H21S H 0.7942 0.4710 0.1492 0.038 Uiso 1 1 calc R U . . .
C219 C 0.6989(4) 0.5218(3) -0.0241(3) 0.0210(9) Uani 1 1 d . . . . .
H21T H 0.6254 0.4940 -0.0041 0.032 Uiso 1 1 calc R U . . .
H21U H 0.7535 0.4654 -0.0088 0.032 Uiso 1 1 calc R U . . .
H21V H 0.6988 0.5619 -0.0939 0.032 Uiso 1 1 calc R U . . .
C220 C 0.6361(4) 0.6730(4) 0.0142(3) 0.0228(10) Uani 1 1 d . . . . .
H22A H 0.6540 0.7153 0.0505 0.034 Uiso 1 1 calc R U . . .
H22B H 0.5656 0.6398 0.0371 0.034 Uiso 1 1 calc R U . . .
H22C H 0.6300 0.7161 -0.0547 0.034 Uiso 1 1 calc R U . . .
C221 C 0.9433(3) 1.0547(3) -0.3359(3) 0.0156(8) Uani 1 1 d . . . . .
C222 C 0.7255(3) 0.9924(3) -0.4061(3) 0.0180(9) Uani 1 1 d . . . . .
C223 C 1.0407(4) 1.0136(3) -0.2648(3) 0.0209(9) Uani 1 1 d . . . . .
H22D H 1.0124 0.9759 -0.1997 0.031 Uiso 1 1 calc R U . . .
H22E H 1.0841 1.0709 -0.2646 0.031 Uiso 1 1 calc R U . . .
H22F H 1.0877 0.9679 -0.2848 0.031 Uiso 1 1 calc R U . . .
C224 C 0.9922(4) 1.1089(4) -0.4369(3) 0.0242(10) Uani 1 1 d . . . . .
H22G H 1.0325 1.0588 -0.4562 0.036 Uiso 1 1 calc R U . . .
H22H H 1.0430 1.1611 -0.4358 0.036 Uiso 1 1 calc R U . . .
H22I H 0.9325 1.1412 -0.4833 0.036 Uiso 1 1 calc R U . . .
C225 C 0.8770(4) 1.1321(3) -0.3061(3) 0.0234(10) Uani 1 1 d . . . . .
H22J H 0.9262 1.1850 -0.3040 0.035 Uiso 1 1 calc R U . . .
H22K H 0.8447 1.0968 -0.2421 0.035 Uiso 1 1 calc R U . . .
H22L H 0.8179 1.1639 -0.3533 0.035 Uiso 1 1 calc R U . . .
C226 C 0.7328(4) 1.0969(4) -0.4895(3) 0.0266(10) Uani 1 1 d . . . . .
H22M H 0.7497 1.1489 -0.4637 0.040 Uiso 1 1 calc R U . . .
H22N H 0.6621 1.1145 -0.5241 0.040 Uiso 1 1 calc R U . . .
H22O H 0.7914 1.0942 -0.5339 0.040 Uiso 1 1 calc R U . . .
C227 C 0.6332(4) 0.9973(4) -0.3358(4) 0.0270(11) Uani 1 1 d . . . . .
H22P H 0.6558 1.0411 -0.3025 0.041 Uiso 1 1 calc R U . . .
H22Q H 0.6203 0.9283 -0.2882 0.041 Uiso 1 1 calc R U . . .
H22R H 0.5650 1.0255 -0.3723 0.041 Uiso 1 1 calc R U . . .
C228 C 0.6943(4) 0.9169(4) -0.4522(3) 0.0216(9) Uani 1 1 d . . . . .
H22S H 0.6929 0.8477 -0.4023 0.032 Uiso 1 1 calc R U . . .
H22T H 0.7490 0.9190 -0.5014 0.032 Uiso 1 1 calc R U . . .
H22U H 0.6212 0.9359 -0.4824 0.032 Uiso 1 1 calc R U . . .
C300 C 1.2728(6) -0.0879(5) -0.0840(6) 0.062(2) Uani 1 1 d . . . . .
H300 H 1.2032 -0.1035 -0.1030 0.075 Uiso 1 1 calc R U . . .
C301 C 1.2810(5) -0.0520(5) -0.0082(4) 0.0448(16) Uani 1 1 d . . . . .
H301 H 1.2165 -0.0429 0.0243 0.054 Uiso 1 1 calc R U . . .
C302 C 1.3823(5) -0.0308(4) 0.0177(4) 0.0327(12) Uani 1 1 d . . . . .
H302 H 1.3875 -0.0056 0.0679 0.039 Uiso 1 1 calc R U . . .
C303 C 1.4775(4) -0.0452(4) -0.0276(4) 0.0322(12) Uani 1 1 d . . . . .
C304 C 1.4675(6) -0.0790(4) -0.1020(4) 0.0431(15) Uani 1 1 d . . . . .
H304 H 1.5318 -0.0882 -0.1348 0.052 Uiso 1 1 calc R U . . .
C305 C 1.3674(8) -0.0994(5) -0.1290(5) 0.063(2) Uani 1 1 d . . . . .
H305 H 1.3629 -0.1223 -0.1806 0.076 Uiso 1 1 calc R U . . .
C306 C 1.5858(5) -0.0213(5) 0.0039(5) 0.0537(17) Uani 1 1 d . . . . .
H30A H 1.6249 -0.0850 0.0433 0.081 Uiso 1 1 calc R U . . .
H30B H 1.5737 0.0207 0.0421 0.081 Uiso 1 1 calc R U . . .
H30C H 1.6302 0.0162 -0.0530 0.081 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 C9 1.909(4) . ?
Ru1 Cl1 2.3227(10) . ?
Ru1 Cl2 2.3754(11) . ?
Ru1 P2 2.3850(11) . ?
Ru1 P1 2.3900(11) . ?
C1 C6 1.414(7) . ?
C1 C2 1.420(6) . ?
C1 C11 1.440(6) . ?
P1 C12 1.821(4) . ?
P1 C14 1.897(4) . ?
P1 C15 1.899(5) . ?
P2 C13 1.836(4) . ?
P2 C23 1.898(5) . ?
P2 C22 1.899(5) . ?
Ru2 C108 1.926(4) . ?
Ru2 Cl3 2.3594(11) . ?
Ru2 Cl4 2.3731(10) . ?
Ru2 P3 2.3751(10) . ?
Ru2 P4 2.3784(10) . ?
C2 C3 1.393(7) . ?
C2 H2 0.9500 . ?
Ru3 C208 1.908(4) . ?
Ru3 Cl6 2.3362(10) . ?
Ru3 Cl5 2.3440(11) . ?
Ru3 P5 2.3833(11) . ?
Ru3 P6 2.3896(10) . ?
C3 C4 1.368(8) . ?
C3 H3 0.9500 . ?
P3 C111 1.833(4) . ?
P3 C113 1.888(4) . ?
P3 C114 1.901(4) . ?
P4 C112 1.835(4) . ?
P4 C121 1.889(4) . ?
P4 C122 1.906(4) . ?
C4 C5 1.389(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.419(6) . ?
C5 H5 0.9500 . ?
P5 C211 1.838(4) . ?
P5 C214 1.899(4) . ?
P5 C213 1.905(4) . ?
C6 C7 1.445(6) . ?
P6 C212 1.831(4) . ?
P6 C221 1.899(4) . ?
P6 C222 1.908(4) . ?
C7 C8 1.359(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.479(6) . ?
C8 C12 1.514(6) . ?
C9 C10 1.475(6) . ?
C10 C11 1.365(6) . ?
C10 C13 1.505(6) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C22 C26 1.528(6) . ?
C22 C25 1.530(6) . ?
C22 C24 1.544(7) . ?
C21 C15 1.545(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C20 C15 1.551(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C19 C15 1.538(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18 C14 1.539(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17 C14 1.527(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C16 C14 1.527(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C23 C27 1.533(7) . ?
C23 C28 1.536(7) . ?
C23 C29 1.538(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C100 C105 1.408(6) . ?
C100 C101 1.411(6) . ?
C100 C110 1.440(6) . ?
C101 C102 1.362(6) . ?
C101 H101 0.9500 . ?
C102 C103 1.384(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.380(6) . ?
C103 H103 0.9500 . ?
C104 C105 1.420(6) . ?
C104 H104 0.9500 . ?
C105 C106 1.443(6) . ?
C106 C107 1.367(6) . ?
C106 H106 0.9500 . ?
C107 C108 1.474(6) . ?
C107 C111 1.520(5) . ?
C108 C109 1.470(5) . ?
C109 C110 1.369(5) . ?
C109 C112 1.509(5) . ?
C110 H110 0.9500 . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 H11C 0.9900 . ?
C112 H11D 0.9900 . ?
C113 C117 1.529(6) . ?
C113 C115 1.537(6) . ?
C113 C116 1.541(6) . ?
C114 C120 1.537(6) . ?
C114 C119 1.539(6) . ?
C114 C118 1.543(6) . ?
C115 H11E 0.9800 . ?
C115 H11F 0.9800 . ?
C115 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C116 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C117 H11M 0.9800 . ?
C118 H11N 0.9800 . ?
C118 H11O 0.9800 . ?
C118 H11P 0.9800 . ?
C119 H11Q 0.9800 . ?
C119 H11R 0.9800 . ?
C119 H11S 0.9800 . ?
C121 C125 1.526(7) . ?
C121 C124 1.538(6) . ?
C121 C123 1.544(6) . ?
C120 H12C 0.9800 . ?
C120 H12D 0.9800 . ?
C120 H12E 0.9800 . ?
C122 C127 1.537(6) . ?
C122 C126 1.543(6) . ?
C122 C128 1.543(6) . ?
C123 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C125 H12M 0.9800 . ?
C125 H12N 0.9800 . ?
C126 H12O 0.9800 . ?
C126 H12P 0.9800 . ?
C126 H12Q 0.9800 . ?
C127 H12R 0.9800 . ?
C127 H12S 0.9800 . ?
C127 H12T 0.9800 . ?
C128 H12U 0.9800 . ?
C128 H12V 0.9800 . ?
C128 H12W 0.9800 . ?
C200 C205 1.400(6) . ?
C200 C201 1.411(6) . ?
C200 C210 1.459(6) . ?
C201 C202 1.375(6) . ?
C201 H201 0.9500 . ?
C202 C203 1.395(7) . ?
C202 H202 0.9500 . ?
C203 C204 1.377(6) . ?
C203 H203 0.9500 . ?
C204 C205 1.407(6) . ?
C204 H204 0.9500 . ?
C205 C206 1.452(6) . ?
C206 C207 1.363(5) . ?
C206 H206 0.9500 . ?
C207 C208 1.464(5) . ?
C207 C212 1.512(5) . ?
C208 C209 1.467(5) . ?
C209 C210 1.357(6) . ?
C209 C211 1.529(5) . ?
C210 H210 0.9500 . ?
C211 H21D 0.9900 . ?
C211 H21E 0.9900 . ?
C212 H21F 0.9900 . ?
C212 H21G 0.9900 . ?
C213 C215 1.526(7) . ?
C213 C216 1.540(6) . ?
C213 C217 1.541(6) . ?
C214 C219 1.534(6) . ?
C214 C218 1.538(6) . ?
C214 C220 1.548(6) . ?
C215 H21H 0.9800 . ?
C215 H21I 0.9800 . ?
C215 H21J 0.9800 . ?
C216 H21K 0.9800 . ?
C216 H21L 0.9800 . ?
C216 H21M 0.9800 . ?
C217 H21N 0.9800 . ?
C217 H21O 0.9800 . ?
C217 H21P 0.9800 . ?
C218 H21Q 0.9800 . ?
C218 H21R 0.9800 . ?
C218 H21S 0.9800 . ?
C219 H21T 0.9800 . ?
C219 H21U 0.9800 . ?
C219 H21V 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 C224 1.535(6) . ?
C221 C223 1.540(6) . ?
C221 C225 1.540(6) . ?
C222 C226 1.533(6) . ?
C222 C228 1.536(6) . ?
C222 C227 1.549(6) . ?
C223 H22D 0.9800 . ?
C223 H22E 0.9800 . ?
C223 H22F 0.9800 . ?
C224 H22G 0.9800 . ?
C224 H22H 0.9800 . ?
C224 H22I 0.9800 . ?
C225 H22J 0.9800 . ?
C225 H22K 0.9800 . ?
C225 H22L 0.9800 . ?
C226 H22M 0.9800 . ?
C226 H22N 0.9800 . ?
C226 H22O 0.9800 . ?
C227 H22P 0.9800 . ?
C227 H22Q 0.9800 . ?
C227 H22R 0.9800 . ?
C228 H22S 0.9800 . ?
C228 H22T 0.9800 . ?
C228 H22U 0.9800 . ?
C300 C305 1.362(11) . ?
C300 C301 1.415(10) . ?
C300 H300 0.9500 . ?
C301 C302 1.366(8) . ?
C301 H301 0.9500 . ?
C302 C303 1.384(7) . ?
C302 H302 0.9500 . ?
C303 C304 1.380(8) . ?
C303 C306 1.488(8) . ?
C304 C305 1.353(10) . ?
C304 H304 0.9500 . ?
C305 H305 0.9500 . ?
C306 H30A 0.9800 . ?
C306 H30B 0.9800 . ?
C306 H30C 0.9800 . ?

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
C9 Ru1 Cl1 93.69(12) . . ?
C9 Ru1 Cl2 129.60(12) . . ?
Cl1 Ru1 Cl2 136.70(4) . . ?
C9 Ru1 P2 84.83(13) . . ?
Cl1 Ru1 P2 91.57(4) . . ?
Cl2 Ru1 P2 92.96(4) . . ?
C9 Ru1 P1 84.52(13) . . ?
Cl1 Ru1 P1 91.69(4) . . ?
Cl2 Ru1 P1 91.83(4) . . ?
P2 Ru1 P1 169.04(4) . . ?
C6 C1 C2 118.0(4) . . ?
C6 C1 C11 124.8(4) . . ?
C2 C1 C11 117.1(4) . . ?
C12 P1 C14 106.0(2) . . ?
C12 P1 C15 105.2(2) . . ?
C14 P1 C15 109.5(2) . . ?
C12 P1 Ru1 95.12(14) . . ?
C14 P1 Ru1 121.71(15) . . ?
C15 P1 Ru1 116.26(13) . . ?
C13 P2 C23 105.1(2) . . ?
C13 P2 C22 107.6(2) . . ?
C23 P2 C22 109.2(2) . . ?
C13 P2 Ru1 95.72(14) . . ?
C23 P2 Ru1 116.77(16) . . ?
C22 P2 Ru1 119.98(15) . . ?
C108 Ru2 Cl3 88.25(12) . . ?
C108 Ru2 Cl4 132.09(12) . . ?
Cl3 Ru2 Cl4 139.66(4) . . ?
C108 Ru2 P3 84.74(12) . . ?
Cl3 Ru2 P3 94.26(4) . . ?
Cl4 Ru2 P3 90.23(4) . . ?
C108 Ru2 P4 85.14(12) . . ?
Cl3 Ru2 P4 93.17(4) . . ?
Cl4 Ru2 P4 90.81(4) . . ?
P3 Ru2 P4 167.24(3) . . ?
C3 C2 C1 121.2(5) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C208 Ru3 Cl6 93.83(12) . . ?
C208 Ru3 Cl5 123.69(12) . . ?
Cl6 Ru3 Cl5 142.47(4) . . ?
C208 Ru3 P5 85.19(12) . . ?
Cl6 Ru3 P5 91.61(4) . . ?
Cl5 Ru3 P5 91.93(4) . . ?
C208 Ru3 P6 85.06(12) . . ?
Cl6 Ru3 P6 90.65(4) . . ?
Cl5 Ru3 P6 92.13(4) . . ?
P5 Ru3 P6 170.12(4) . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C111 P3 C113 106.50(19) . . ?
C111 P3 C114 104.37(19) . . ?
C113 P3 C114 109.18(19) . . ?
C111 P3 Ru2 95.99(13) . . ?
C113 P3 Ru2 122.22(14) . . ?
C114 P3 Ru2 115.60(14) . . ?
C112 P4 C121 106.12(18) . . ?
C112 P4 C122 103.84(18) . . ?
C121 P4 C122 110.3(2) . . ?
C112 P4 Ru2 95.09(13) . . ?
C121 P4 Ru2 122.39(14) . . ?
C122 P4 Ru2 115.56(13) . . ?
C3 C4 C5 120.3(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 120.8(5) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C211 P5 C214 107.86(19) . . ?
C211 P5 C213 104.8(2) . . ?
C214 P5 C213 110.3(2) . . ?
C211 P5 Ru3 95.55(13) . . ?
C214 P5 Ru3 117.85(14) . . ?
C213 P5 Ru3 117.93(14) . . ?
C1 C6 C5 119.2(4) . . ?
C1 C6 C7 124.9(4) . . ?
C5 C6 C7 115.8(4) . . ?
C212 P6 C221 105.14(19) . . ?
C212 P6 C222 107.28(19) . . ?
C221 P6 C222 109.93(19) . . ?
C212 P6 Ru3 94.85(13) . . ?
C221 P6 Ru3 117.04(13) . . ?
C222 P6 Ru3 119.81(14) . . ?
C8 C7 C6 132.0(4) . . ?
C8 C7 H7 114.0 . . ?
C6 C7 H7 114.0 . . ?
C7 C8 C9 128.5(4) . . ?
C7 C8 C12 117.1(4) . . ?
C9 C8 C12 114.4(3) . . ?
C10 C9 C8 118.6(3) . . ?
C10 C9 Ru1 120.7(3) . . ?
C8 C9 Ru1 120.3(3) . . ?
C11 C10 C9 127.4(4) . . ?
C11 C10 C13 117.9(4) . . ?
C9 C10 C13 114.6(4) . . ?
C10 C11 C1 132.6(4) . . ?
C10 C11 H11 113.7 . . ?
C1 C11 H11 113.7 . . ?
C8 C12 P1 106.3(3) . . ?
C8 C12 H12A 110.5 . . ?
P1 C12 H12A 110.5 . . ?
C8 C12 H12B 110.5 . . ?
P1 C12 H12B 110.5 . . ?
H12A C12 H12B 108.7 . . ?
C10 C13 P2 106.6(3) . . ?
C10 C13 H13A 110.4 . . ?
P2 C13 H13A 110.4 . . ?
C10 C13 H13B 110.4 . . ?
P2 C13 H13B 110.4 . . ?
H13A C13 H13B 108.6 . . ?
C26 C22 C25 105.7(4) . . ?
C26 C22 C24 108.6(4) . . ?
C25 C22 C24 110.3(4) . . ?
C26 C22 P2 109.8(3) . . ?
C25 C22 P2 116.6(3) . . ?
C24 C22 P2 105.6(3) . . ?
C15 C21 H21A 109.5 . . ?
C15 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C15 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C15 C21 110.0(4) . . ?
C19 C15 C20 107.0(4) . . ?
C21 C15 C20 106.4(4) . . ?
C19 C15 P1 111.3(3) . . ?
C21 C15 P1 113.2(3) . . ?
C20 C15 P1 108.7(3) . . ?
C16 C14 C17 111.6(4) . . ?
C16 C14 C18 105.9(4) . . ?
C17 C14 C18 108.0(4) . . ?
C16 C14 P1 114.0(3) . . ?
C17 C14 P1 106.9(3) . . ?
C18 C14 P1 110.4(3) . . ?
C27 C23 C28 110.9(4) . . ?
C27 C23 C29 107.0(4) . . ?
C28 C23 C29 106.8(4) . . ?
C27 C23 P2 110.4(3) . . ?
C28 C23 P2 113.5(4) . . ?
C29 C23 P2 108.0(3) . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C22 C26 H26A 109.5 . . ?
C22 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C22 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C23 C29 H29A 109.5 . . ?
C23 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C23 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C105 C100 C101 118.3(4) . . ?
C105 C100 C110 124.5(4) . . ?
C101 C100 C110 117.1(4) . . ?
C102 C101 C100 122.3(4) . . ?
C102 C101 H101 118.9 . . ?
C100 C101 H101 118.9 . . ?
C101 C102 C103 120.0(4) . . ?
C101 C102 H102 120.0 . . ?
C103 C102 H102 120.0 . . ?
C104 C103 C102 119.8(4) . . ?
C104 C103 H103 120.1 . . ?
C102 C103 H103 120.1 . . ?
C103 C104 C105 121.3(4) . . ?
C103 C104 H104 119.4 . . ?
C105 C104 H104 119.4 . . ?
C100 C105 C104 118.4(4) . . ?
C100 C105 C106 125.6(4) . . ?
C104 C105 C106 116.0(4) . . ?
C107 C106 C105 133.6(4) . . ?
C107 C106 H106 113.2 . . ?
C105 C106 H106 113.2 . . ?
C106 C107 C108 129.4(4) . . ?
C106 C107 C111 115.2(4) . . ?
C108 C107 C111 115.4(3) . . ?
C109 C108 C107 118.5(3) . . ?
C109 C108 Ru2 120.4(3) . . ?
C107 C108 Ru2 120.6(3) . . ?
C110 C109 C108 129.7(4) . . ?
C110 C109 C112 115.6(3) . . ?
C108 C109 C112 114.7(3) . . ?
C109 C110 C100 133.6(4) . . ?
C109 C110 H110 113.2 . . ?
C100 C110 H110 113.2 . . ?
C107 C111 P3 107.2(3) . . ?
C107 C111 H11A 110.3 . . ?
P3 C111 H11A 110.3 . . ?
C107 C111 H11B 110.3 . . ?
P3 C111 H11B 110.3 . . ?
H11A C111 H11B 108.5 . . ?
C109 C112 P4 107.9(3) . . ?
C109 C112 H11C 110.1 . . ?
P4 C112 H11C 110.1 . . ?
C109 C112 H11D 110.1 . . ?
P4 C112 H11D 110.1 . . ?
H11C C112 H11D 108.4 . . ?
C117 C113 C115 106.9(4) . . ?
C117 C113 C116 108.0(4) . . ?
C115 C113 C116 110.3(3) . . ?
C117 C113 P3 108.9(3) . . ?
C115 C113 P3 115.2(3) . . ?
C116 C113 P3 107.3(3) . . ?
C120 C114 C119 109.9(3) . . ?
C120 C114 C118 106.9(4) . . ?
C119 C114 C118 106.5(3) . . ?
C120 C114 P3 111.7(3) . . ?
C119 C114 P3 112.6(3) . . ?
C118 C114 P3 109.0(3) . . ?
C113 C115 H11E 109.5 . . ?
C113 C115 H11F 109.5 . . ?
H11E C115 H11F 109.5 . . ?
C113 C115 H11G 109.5 . . ?
H11E C115 H11G 109.5 . . ?
H11F C115 H11G 109.5 . . ?
C113 C116 H11H 109.5 . . ?
C113 C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C113 C116 H11J 109.5 . . ?
H11H C116 H11J 109.5 . . ?
H11I C116 H11J 109.5 . . ?
C113 C117 H11K 109.5 . . ?
C113 C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
C113 C117 H11M 109.5 . . ?
H11K C117 H11M 109.5 . . ?
H11L C117 H11M 109.5 . . ?
C114 C118 H11N 109.5 . . ?
C114 C118 H11O 109.5 . . ?
H11N C118 H11O 109.5 . . ?
C114 C118 H11P 109.5 . . ?
H11N C118 H11P 109.5 . . ?
H11O C118 H11P 109.5 . . ?
C114 C119 H11Q 109.5 . . ?
C114 C119 H11R 109.5 . . ?
H11Q C119 H11R 109.5 . . ?
C114 C119 H11S 109.5 . . ?
H11Q C119 H11S 109.5 . . ?
H11R C119 H11S 109.5 . . ?
C125 C121 C124 107.2(4) . . ?
C125 C121 C123 108.5(4) . . ?
C124 C121 C123 109.6(4) . . ?
C125 C121 P4 110.1(3) . . ?
C124 C121 P4 114.4(3) . . ?
C123 C121 P4 106.9(3) . . ?
C114 C120 H12C 109.5 . . ?
C114 C120 H12D 109.5 . . ?
H12C C120 H12D 109.5 . . ?
C114 C120 H12E 109.5 . . ?
H12C C120 H12E 109.5 . . ?
H12D C120 H12E 109.5 . . ?
C127 C122 C126 109.9(4) . . ?
C127 C122 C128 107.1(3) . . ?
C126 C122 C128 107.1(3) . . ?
C127 C122 P4 112.9(3) . . ?
C126 C122 P4 110.7(3) . . ?
C128 C122 P4 109.0(3) . . ?
C121 C123 H12F 109.5 . . ?
C121 C123 H12G 109.5 . . ?
H12F C123 H12G 109.5 . . ?
C121 C123 H12H 109.5 . . ?
H12F C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
C121 C124 H12J 109.5 . . ?
H12I C124 H12J 109.5 . . ?
C121 C124 H12K 109.5 . . ?
H12I C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C121 C125 H12L 109.5 . . ?
C121 C125 H12M 109.5 . . ?
H12L C125 H12M 109.5 . . ?
C121 C125 H12N 109.5 . . ?
H12L C125 H12N 109.5 . . ?
H12M C125 H12N 109.5 . . ?
C122 C126 H12O 109.5 . . ?
C122 C126 H12P 109.5 . . ?
H12O C126 H12P 109.5 . . ?
C122 C126 H12Q 109.5 . . ?
H12O C126 H12Q 109.5 . . ?
H12P C126 H12Q 109.5 . . ?
C122 C127 H12R 109.5 . . ?
C122 C127 H12S 109.5 . . ?
H12R C127 H12S 109.5 . . ?
C122 C127 H12T 109.5 . . ?
H12R C127 H12T 109.5 . . ?
H12S C127 H12T 109.5 . . ?
C122 C128 H12U 109.5 . . ?
C122 C128 H12V 109.5 . . ?
H12U C128 H12V 109.5 . . ?
C122 C128 H12W 109.5 . . ?
H12U C128 H12W 109.5 . . ?
H12V C128 H12W 109.5 . . ?
C205 C200 C201 118.7(4) . . ?
C205 C200 C210 124.8(4) . . ?
C201 C200 C210 116.4(4) . . ?
C202 C201 C200 121.6(4) . . ?
C202 C201 H201 119.2 . . ?
C200 C201 H201 119.2 . . ?
C201 C202 C203 119.5(4) . . ?
C201 C202 H202 120.2 . . ?
C203 C202 H202 120.2 . . ?
C204 C203 C202 119.7(4) . . ?
C204 C203 H203 120.1 . . ?
C202 C203 H203 120.1 . . ?
C203 C204 C205 121.6(4) . . ?
C203 C204 H204 119.2 . . ?
C205 C204 H204 119.2 . . ?
C200 C205 C204 118.8(4) . . ?
C200 C205 C206 124.8(4) . . ?
C204 C205 C206 116.4(4) . . ?
C207 C206 C205 132.3(4) . . ?
C207 C206 H206 113.9 . . ?
C205 C206 H206 113.9 . . ?
C206 C207 C208 127.7(4) . . ?
C206 C207 C212 117.4(3) . . ?
C208 C207 C212 114.8(3) . . ?
C207 C208 C209 118.8(3) . . ?
C207 C208 Ru3 120.4(3) . . ?
C209 C208 Ru3 120.3(3) . . ?
C210 C209 C208 128.4(4) . . ?
C210 C209 C211 116.8(4) . . ?
C208 C209 C211 114.8(3) . . ?
C209 C210 C200 131.3(4) . . ?
C209 C210 H210 114.4 . . ?
C200 C210 H210 114.4 . . ?
C209 C211 P5 105.6(3) . . ?
C209 C211 H21D 110.6 . . ?
P5 C211 H21D 110.6 . . ?
C209 C211 H21E 110.6 . . ?
P5 C211 H21E 110.6 . . ?
H21D C211 H21E 108.7 . . ?
C207 C212 P6 106.9(3) . . ?
C207 C212 H21F 110.3 . . ?
P6 C212 H21F 110.3 . . ?
C207 C212 H21G 110.3 . . ?
P6 C212 H21G 110.3 . . ?
H21F C212 H21G 108.6 . . ?
C215 C213 C216 109.9(4) . . ?
C215 C213 C217 107.6(4) . . ?
C216 C213 C217 107.7(4) . . ?
C215 C213 P5 110.4(3) . . ?
C216 C213 P5 112.4(3) . . ?
C217 C213 P5 108.7(3) . . ?
C219 C214 C218 105.7(4) . . ?
C219 C214 C220 109.7(4) . . ?
C218 C214 C220 108.6(4) . . ?
C219 C214 P5 110.0(3) . . ?
C218 C214 P5 117.2(3) . . ?
C220 C214 P5 105.7(3) . . ?
C213 C215 H21H 109.5 . . ?
C213 C215 H21I 109.5 . . ?
H21H C215 H21I 109.5 . . ?
C213 C215 H21J 109.5 . . ?
H21H C215 H21J 109.5 . . ?
H21I C215 H21J 109.5 . . ?
C213 C216 H21K 109.5 . . ?
C213 C216 H21L 109.5 . . ?
H21K C216 H21L 109.5 . . ?
C213 C216 H21M 109.5 . . ?
H21K C216 H21M 109.5 . . ?
H21L C216 H21M 109.5 . . ?
C213 C217 H21N 109.5 . . ?
C213 C217 H21O 109.5 . . ?
H21N C217 H21O 109.5 . . ?
C213 C217 H21P 109.5 . . ?
H21N C217 H21P 109.5 . . ?
H21O C217 H21P 109.5 . . ?
C214 C218 H21Q 109.5 . . ?
C214 C218 H21R 109.5 . . ?
H21Q C218 H21R 109.5 . . ?
C214 C218 H21S 109.5 . . ?
H21Q C218 H21S 109.5 . . ?
H21R C218 H21S 109.5 . . ?
C214 C219 H21T 109.5 . . ?
C214 C219 H21U 109.5 . . ?
H21T C219 H21U 109.5 . . ?
C214 C219 H21V 109.5 . . ?
H21T C219 H21V 109.5 . . ?
H21U C219 H21V 109.5 . . ?
C214 C220 H22A 109.5 . . ?
C214 C220 H22B 109.5 . . ?
H22A C220 H22B 109.5 . . ?
C214 C220 H22C 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C224 C221 C223 107.3(4) . . ?
C224 C221 C225 109.9(3) . . ?
C223 C221 C225 107.6(4) . . ?
C224 C221 P6 112.7(3) . . ?
C223 C221 P6 108.6(3) . . ?
C225 C221 P6 110.6(3) . . ?
C226 C222 C228 106.0(4) . . ?
C226 C222 C227 109.3(4) . . ?
C228 C222 C227 109.5(4) . . ?
C226 C222 P6 116.7(3) . . ?
C228 C222 P6 110.1(3) . . ?
C227 C222 P6 105.2(3) . . ?
C221 C223 H22D 109.5 . . ?
C221 C223 H22E 109.5 . . ?
H22D C223 H22E 109.5 . . ?
C221 C223 H22F 109.5 . . ?
H22D C223 H22F 109.5 . . ?
H22E C223 H22F 109.5 . . ?
C221 C224 H22G 109.5 . . ?
C221 C224 H22H 109.5 . . ?
H22G C224 H22H 109.5 . . ?
C221 C224 H22I 109.5 . . ?
H22G C224 H22I 109.5 . . ?
H22H C224 H22I 109.5 . . ?
C221 C225 H22J 109.5 . . ?
C221 C225 H22K 109.5 . . ?
H22J C225 H22K 109.5 . . ?
C221 C225 H22L 109.5 . . ?
H22J C225 H22L 109.5 . . ?
H22K C225 H22L 109.5 . . ?
C222 C226 H22M 109.5 . . ?
C222 C226 H22N 109.5 . . ?
H22M C226 H22N 109.5 . . ?
C222 C226 H22O 109.5 . . ?
H22M C226 H22O 109.5 . . ?
H22N C226 H22O 109.5 . . ?
C222 C227 H22P 109.5 . . ?
C222 C227 H22Q 109.5 . . ?
H22P C227 H22Q 109.5 . . ?
C222 C227 H22R 109.5 . . ?
H22P C227 H22R 109.5 . . ?
H22Q C227 H22R 109.5 . . ?
C222 C228 H22S 109.5 . . ?
C222 C228 H22T 109.5 . . ?
H22S C228 H22T 109.5 . . ?
C222 C228 H22U 109.5 . . ?
H22S C228 H22U 109.5 . . ?
H22T C228 H22U 109.5 . . ?
C305 C300 C301 118.3(6) . . ?
C305 C300 H300 120.9 . . ?
C301 C300 H300 120.9 . . ?
C302 C301 C300 119.5(6) . . ?
C302 C301 H301 120.3 . . ?
C300 C301 H301 120.3 . . ?
C301 C302 C303 121.2(5) . . ?
C301 C302 H302 119.4 . . ?
C303 C302 H302 119.4 . . ?
C304 C303 C302 118.3(5) . . ?
C304 C303 C306 122.7(5) . . ?
C302 C303 C306 119.0(5) . . ?
C305 C304 C303 120.9(6) . . ?
C305 C304 H304 119.5 . . ?
C303 C304 H304 119.5 . . ?
C304 C305 C300 121.8(6) . . ?
C304 C305 H305 119.1 . . ?
C300 C305 H305 119.1 . . ?
C303 C306 H30A 109.5 . . ?
C303 C306 H30B 109.5 . . ?
H30A C306 H30B 109.5 . . ?
C303 C306 H30C 109.5 . . ?
H30A C306 H30C 109.5 . . ?
H30B C306 H30C 109.5 . . ?

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
C6 C1 C2 C3 1.2(6) . . . . ?
C11 C1 C2 C3 -174.7(4) . . . . ?
C1 C2 C3 C4 0.2(7) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 -0.9(7) . . . . ?
C2 C1 C6 C5 -2.3(6) . . . . ?
C11 C1 C6 C5 173.2(4) . . . . ?
C2 C1 C6 C7 -178.3(4) . . . . ?
C11 C1 C6 C7 -2.7(7) . . . . ?
C4 C5 C6 C1 2.3(6) . . . . ?
C4 C5 C6 C7 178.5(4) . . . . ?
C1 C6 C7 C8 -17.2(8) . . . . ?
C5 C6 C7 C8 166.8(5) . . . . ?
C6 C7 C8 C9 0.5(8) . . . . ?
C6 C7 C8 C12 -177.0(4) . . . . ?
C7 C8 C9 C10 31.8(6) . . . . ?
C12 C8 C9 C10 -150.7(4) . . . . ?
C7 C8 C9 Ru1 -155.8(4) . . . . ?
C12 C8 C9 Ru1 21.7(5) . . . . ?
C8 C9 C10 C11 -34.4(6) . . . . ?
Ru1 C9 C10 C11 153.3(4) . . . . ?
C8 C9 C10 C13 148.2(4) . . . . ?
Ru1 C9 C10 C13 -24.2(5) . . . . ?
C9 C10 C11 C1 3.3(8) . . . . ?
C13 C10 C11 C1 -179.4(4) . . . . ?
C6 C1 C11 C10 19.1(8) . . . . ?
C2 C1 C11 C10 -165.4(5) . . . . ?
C7 C8 C12 P1 132.7(3) . . . . ?
C9 C8 C12 P1 -45.1(4) . . . . ?
C14 P1 C12 C8 167.1(3) . . . . ?
C15 P1 C12 C8 -76.9(3) . . . . ?
Ru1 P1 C12 C8 42.0(3) . . . . ?
C11 C10 C13 P2 -133.5(4) . . . . ?
C9 C10 C13 P2 44.2(4) . . . . ?
C23 P2 C13 C10 80.4(3) . . . . ?
C22 P2 C13 C10 -163.3(3) . . . . ?
Ru1 P2 C13 C10 -39.4(3) . . . . ?
C13 P2 C22 C26 33.8(4) . . . . ?
C23 P2 C22 C26 147.4(3) . . . . ?
Ru1 P2 C22 C26 -73.9(3) . . . . ?
C13 P2 C22 C25 -86.4(4) . . . . ?
C23 P2 C22 C25 27.2(5) . . . . ?
Ru1 P2 C22 C25 166.0(3) . . . . ?
C13 P2 C22 C24 150.8(3) . . . . ?
C23 P2 C22 C24 -95.6(4) . . . . ?
Ru1 P2 C22 C24 43.1(4) . . . . ?
C12 P1 C15 C19 -166.3(3) . . . . ?
C14 P1 C15 C19 -52.8(3) . . . . ?
Ru1 P1 C15 C19 90.0(3) . . . . ?
C12 P1 C15 C21 -41.7(4) . . . . ?
C14 P1 C15 C21 71.8(4) . . . . ?
Ru1 P1 C15 C21 -145.5(3) . . . . ?
C12 P1 C15 C20 76.2(3) . . . . ?
C14 P1 C15 C20 -170.3(3) . . . . ?
Ru1 P1 C15 C20 -27.5(3) . . . . ?
C12 P1 C14 C16 80.2(4) . . . . ?
C15 P1 C14 C16 -32.8(4) . . . . ?
Ru1 P1 C14 C16 -173.2(3) . . . . ?
C12 P1 C14 C17 -156.1(4) . . . . ?
C15 P1 C14 C17 90.9(4) . . . . ?
Ru1 P1 C14 C17 -49.4(4) . . . . ?
C12 P1 C14 C18 -38.9(4) . . . . ?
C15 P1 C14 C18 -151.9(3) . . . . ?
Ru1 P1 C14 C18 67.8(3) . . . . ?
C13 P2 C23 C27 171.3(3) . . . . ?
C22 P2 C23 C27 56.2(4) . . . . ?
Ru1 P2 C23 C27 -84.1(3) . . . . ?
C13 P2 C23 C28 46.2(4) . . . . ?
C22 P2 C23 C28 -69.0(4) . . . . ?
Ru1 P2 C23 C28 150.7(3) . . . . ?
C13 P2 C23 C29 -72.0(4) . . . . ?
C22 P2 C23 C29 172.8(3) . . . . ?
Ru1 P2 C23 C29 32.6(4) . . . . ?
C105 C100 C101 C102 -0.8(6) . . . . ?
C110 C100 C101 C102 -176.6(4) . . . . ?
C100 C101 C102 C103 0.8(7) . . . . ?
C101 C102 C103 C104 0.3(7) . . . . ?
C102 C103 C104 C105 -1.4(7) . . . . ?
C101 C100 C105 C104 -0.4(6) . . . . ?
C110 C100 C105 C104 175.1(4) . . . . ?
C101 C100 C105 C106 -176.8(4) . . . . ?
C110 C100 C105 C106 -1.3(7) . . . . ?
C103 C104 C105 C100 1.5(6) . . . . ?
C103 C104 C105 C106 178.3(4) . . . . ?
C100 C105 C106 C107 -6.0(8) . . . . ?
C104 C105 C106 C107 177.4(4) . . . . ?
C105 C106 C107 C108 -6.0(8) . . . . ?
C105 C106 C107 C111 173.9(4) . . . . ?
C106 C107 C108 C109 24.8(6) . . . . ?
C111 C107 C108 C109 -155.2(3) . . . . ?
C106 C107 C108 Ru2 -163.8(4) . . . . ?
C111 C107 C108 Ru2 16.3(5) . . . . ?
C107 C108 C109 C110 -27.9(6) . . . . ?
Ru2 C108 C109 C110 160.6(3) . . . . ?
C107 C108 C109 C112 152.0(3) . . . . ?
Ru2 C108 C109 C112 -19.4(5) . . . . ?
C108 C109 C110 C100 11.2(8) . . . . ?
C112 C109 C110 C100 -168.8(4) . . . . ?
C105 C100 C110 C109 5.5(7) . . . . ?
C101 C100 C110 C109 -179.0(4) . . . . ?
C106 C107 C111 P3 140.5(3) . . . . ?
C108 C107 C111 P3 -39.6(4) . . . . ?
C113 P3 C111 C107 165.3(3) . . . . ?
C114 P3 C111 C107 -79.3(3) . . . . ?
Ru2 P3 C111 C107 39.1(3) . . . . ?
C110 C109 C112 P4 -138.1(3) . . . . ?
C108 C109 C112 P4 41.9(4) . . . . ?
C121 P4 C112 C109 -165.4(3) . . . . ?
C122 P4 C112 C109 78.3(3) . . . . ?
Ru2 P4 C112 C109 -39.6(3) . . . . ?
C111 P3 C113 C117 -47.0(3) . . . . ?
C114 P3 C113 C117 -159.1(3) . . . . ?
Ru2 P3 C113 C117 61.4(3) . . . . ?
C111 P3 C113 C115 73.1(4) . . . . ?
C114 P3 C113 C115 -39.0(4) . . . . ?
Ru2 P3 C113 C115 -178.5(3) . . . . ?
C111 P3 C113 C116 -163.7(3) . . . . ?
C114 P3 C113 C116 84.2(3) . . . . ?
Ru2 P3 C113 C116 -55.3(3) . . . . ?
C112 P4 C121 C125 43.4(3) . . . . ?
C122 P4 C121 C125 155.2(3) . . . . ?
Ru2 P4 C121 C125 -63.6(3) . . . . ?
C112 P4 C121 C124 -77.4(4) . . . . ?
C122 P4 C121 C124 34.4(4) . . . . ?
Ru2 P4 C121 C124 175.5(3) . . . . ?
C112 P4 C121 C123 161.1(3) . . . . ?
C122 P4 C121 C123 -87.1(3) . . . . ?
Ru2 P4 C121 C123 54.0(4) . . . . ?
C205 C200 C201 C202 0.1(7) . . . . ?
C210 C200 C201 C202 176.3(4) . . . . ?
C200 C201 C202 C203 -1.4(7) . . . . ?
C201 C202 C203 C204 1.2(7) . . . . ?
C202 C203 C204 C205 0.3(7) . . . . ?
C201 C200 C205 C204 1.3(6) . . . . ?
C210 C200 C205 C204 -174.4(4) . . . . ?
C201 C200 C205 C206 178.8(4) . . . . ?
C210 C200 C205 C206 3.0(7) . . . . ?
C203 C204 C205 C200 -1.6(6) . . . . ?
C203 C204 C205 C206 -179.3(4) . . . . ?
C200 C205 C206 C207 18.3(7) . . . . ?
C204 C205 C206 C207 -164.1(4) . . . . ?
C205 C206 C207 C208 -1.5(8) . . . . ?
C205 C206 C207 C212 176.2(4) . . . . ?
C206 C207 C208 C209 -32.0(6) . . . . ?
C212 C207 C208 C209 150.1(4) . . . . ?
C206 C207 C208 Ru3 155.6(4) . . . . ?
C212 C207 C208 Ru3 -22.2(5) . . . . ?
C207 C208 C209 C210 35.3(6) . . . . ?
Ru3 C208 C209 C210 -152.4(4) . . . . ?
C207 C208 C209 C211 -147.7(4) . . . . ?
Ru3 C208 C209 C211 24.6(5) . . . . ?
C208 C209 C210 C200 -2.9(8) . . . . ?
C211 C209 C210 C200 -179.8(4) . . . . ?
C205 C200 C210 C209 -20.2(7) . . . . ?
C201 C200 C210 C209 163.9(5) . . . . ?
C210 C209 C211 P5 132.1(3) . . . . ?
C208 C209 C211 P5 -45.3(4) . . . . ?
C214 P5 C211 C209 161.8(3) . . . . ?
C213 P5 C211 C209 -80.7(3) . . . . ?
Ru3 P5 C211 C209 40.2(3) . . . . ?
C206 C207 C212 P6 -133.9(3) . . . . ?
C208 C207 C212 P6 44.1(4) . . . . ?
C221 P6 C212 C207 79.6(3) . . . . ?
C222 P6 C212 C207 -163.4(3) . . . . ?
Ru3 P6 C212 C207 -40.1(3) . . . . ?
C211 P5 C214 C219 -29.2(3) . . . . ?
C213 P5 C214 C219 -143.1(3) . . . . ?
Ru3 P5 C214 C219 77.4(3) . . . . ?
C211 P5 C214 C218 91.4(4) . . . . ?
C213 P5 C214 C218 -22.5(4) . . . . ?
Ru3 P5 C214 C218 -162.0(3) . . . . ?
C211 P5 C214 C220 -147.5(3) . . . . ?
C213 P5 C214 C220 98.6(3) . . . . ?
Ru3 P5 C214 C220 -40.9(3) . . . . ?
C212 P6 C221 C224 48.7(3) . . . . ?
C222 P6 C221 C224 -66.4(3) . . . . ?
Ru3 P6 C221 C224 152.4(3) . . . . ?
C212 P6 C221 C223 -69.9(3) . . . . ?
C222 P6 C221 C223 174.9(3) . . . . ?
Ru3 P6 C221 C223 33.7(3) . . . . ?
C212 P6 C221 C225 172.2(3) . . . . ?
C222 P6 C221 C225 57.0(3) . . . . ?
Ru3 P6 C221 C225 -84.1(3) . . . . ?
C305 C300 C301 C302 -0.3(9) . . . . ?
C300 C301 C302 C303 -1.1(8) . . . . ?
C301 C302 C303 C304 1.8(8) . . . . ?
C301 C302 C303 C306 -179.7(5) . . . . ?
C302 C303 C304 C305 -1.2(8) . . . . ?
C306 C303 C304 C305 -179.6(6) . . . . ?
C303 C304 C305 C300 -0.3(10) . . . . ?
C301 C300 C305 C304 1.0(10) . . . . ?

_refine_diff_density_max         2.331
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.071

_shelxl_version_number           2014-3



