# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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. 
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data_t
_database_code_depnum_ccdc_archive 'CCDC 1992034'
_audit_update_record             
;
2020-10-21 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H66 Cl2 O2 P6 Ru2, C H2 Cl2'
_chemical_formula_sum            'C39 H68 Cl4 O2 P6 Ru2'
_chemical_formula_weight         1098.69
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.7595(11)
_cell_length_b                   14.4168(11)
_cell_length_c                   31.0806(18)
_cell_angle_alpha                90
_cell_angle_beta                 93.6870(10)
_cell_angle_gamma                90
_cell_volume                     10624.2(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7960
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.256
_cell_measurement_theta_min      2.530
_shelx_estimated_absorpt_T_max   0.908
_shelx_estimated_absorpt_T_min   0.859
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_T_max  0.9084
_exptl_absorpt_correction_T_min  0.8590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            56905
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         1.799
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9027
_reflns_number_total             10979
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         10979
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0366
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0676P)²+0.5997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1051
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C1(0.52889) H1A(0.52889) H1B(0.52889) H1C(0.52889) C2(0.52889)
 H2A(0.52889) H2B(0.52889) H2C(0.52889) C3(0.52889) H3A(0.52889) H3B(0.52889)
 H3C(0.52889) C1'(0.47111) H1'A(0.47111) H1'B(0.47111) H1'C(0.47111)
 C2'(0.47111) H2'A(0.47111) H2'B(0.47111) H2'C(0.47111) C3'(0.47111)
 H3'A(0.47111) H3'B(0.47111) H3'C(0.47111) C7(0.50923) H7A(0.50923)
 H7B(0.50923) H7C(0.50923) C8(0.50923) H8A(0.50923) H8B(0.50923) H8C(0.50923)
 C9(0.50923) H9A(0.50923) H9B(0.50923) H9C(0.50923) C7'(0.49077) H7'A(0.49077)
 H7'B(0.49077) H7'C(0.49077) C8'(0.49077) H8'A(0.49077) H8'B(0.49077)
 H8'C(0.49077) C9'(0.49077) H9'A(0.49077) H9'B(0.49077) H9'C(0.49077)
3.a Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C13(H13), C14(H14), C18(H18), C21(H21), C22(H22),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C1'(H1'A,H1'B,H1'C),
 C2'(H2'A,H2'B,H2'C), C3'(H3'A,H3'B,H3'C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C),
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C7'(H7'A,
 H7'B,H7'C), C8'(H8'A,H8'B,H8'C), C9'(H9'A,H9'B,H9'C), C28(H28A,H28B,H28C),
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.51966(2) 0.16542(2) 0.09073(2) 0.04834(8) Uani 1 1 d . . . . .
Ru2 Ru 0.14176(2) 0.13455(2) 0.31052(2) 0.04319(7) Uani 1 1 d . . . . .
C1 C 0.5436(9) 0.1840(12) 0.2005(5) 0.146(8) Uani 0.5289 1 d . . P A 1
H1A H 0.508224 0.167995 0.211850 0.218 Uiso 0.5289 1 calc GR . P A 1
H1B H 0.541707 0.246207 0.189505 0.218 Uiso 0.5289 1 calc GR . P A 1
H1C H 0.573092 0.179937 0.223078 0.218 Uiso 0.5289 1 calc GR . P A 1
C2 C 0.5300(7) -0.0001(11) 0.1735(6) 0.159(9) Uani 0.5289 1 d . . P A 1
H2A H 0.522730 0.007247 0.203306 0.239 Uiso 0.5289 1 calc GR . P A 1
H2B H 0.555755 -0.050736 0.170491 0.239 Uiso 0.5289 1 calc GR . P A 1
H2C H 0.495336 -0.012831 0.157008 0.239 Uiso 0.5289 1 calc GR . P A 1
C3 C 0.6362(7) 0.0808(14) 0.1697(7) 0.090(4) Uani 0.5289 1 d . . P A 1
H3A H 0.657823 0.128649 0.156902 0.136 Uiso 0.5289 1 calc GR . P A 1
H3B H 0.647360 0.021443 0.159134 0.136 Uiso 0.5289 1 calc GR . P A 1
H3C H 0.642855 0.082724 0.200437 0.136 Uiso 0.5289 1 calc GR . P A 1
C1' C 0.5321(8) 0.1263(12) 0.2038(5) 0.127(8) Uani 0.4711 1 d . . P A 2
H1'A H 0.495649 0.098102 0.205133 0.190 Uiso 0.4711 1 calc GR . P A 2
H1'B H 0.528561 0.192409 0.206401 0.190 Uiso 0.4711 1 calc GR . P A 2
H1'C H 0.556963 0.103236 0.226869 0.190 Uiso 0.4711 1 calc GR . P A 2
C2' C 0.5480(9) -0.0355(13) 0.1531(7) 0.136(7) Uani 0.4711 1 d . . P A 2
H2'A H 0.546181 -0.058874 0.181873 0.205 Uiso 0.4711 1 calc GR . P A 2
H2'B H 0.578849 -0.064199 0.139697 0.205 Uiso 0.4711 1 calc GR . P A 2
H2'C H 0.513340 -0.049481 0.136699 0.205 Uiso 0.4711 1 calc GR . P A 2
C3' C 0.6296(10) 0.1118(18) 0.1694(7) 0.133(10) Uani 0.4711 1 d . . P A 2
H3'A H 0.639484 0.176363 0.169599 0.199 Uiso 0.4711 1 calc GR . P A 2
H3'B H 0.651196 0.079578 0.148990 0.199 Uiso 0.4711 1 calc GR . P A 2
H3'C H 0.637624 0.086096 0.197595 0.199 Uiso 0.4711 1 calc GR . P A 2
C4 C 0.66237(15) 0.2451(3) 0.07725(15) 0.1044(13) Uani 1 1 d . . . . .
H4A H 0.667174 0.237271 0.107941 0.157 Uiso 1 1 calc GR . . . .
H4B H 0.651903 0.308146 0.070754 0.157 Uiso 1 1 calc GR . . . .
H4C H 0.697118 0.230920 0.064540 0.157 Uiso 1 1 calc GR . . . .
C5 C 0.60788(18) 0.1936(5) -0.00216(13) 0.138(2) Uani 1 1 d . . . . .
H5A H 0.645923 0.191231 -0.010809 0.207 Uiso 1 1 calc GR . . . .
H5B H 0.592686 0.254485 -0.007606 0.207 Uiso 1 1 calc GR . . . .
H5C H 0.585351 0.148732 -0.018288 0.207 Uiso 1 1 calc GR . . . .
C6 C 0.64439(18) 0.0574(3) 0.05647(16) 0.1222(17) Uani 1 1 d . . . . .
H6A H 0.625516 0.015479 0.036315 0.183 Uiso 1 1 calc GR . . . .
H6B H 0.644881 0.031375 0.084927 0.183 Uiso 1 1 calc GR . . . .
H6C H 0.682396 0.066956 0.048658 0.183 Uiso 1 1 calc GR . . . .
C7 C 0.3950(10) 0.293(2) 0.0511(8) 0.077(3) Uani 0.5092 1 d . . P B 1
H7A H 0.376062 0.319915 0.025863 0.116 Uiso 0.5092 1 calc GR . P B 1
H7B H 0.401637 0.340545 0.072638 0.116 Uiso 0.5092 1 calc GR . P B 1
H7C H 0.371906 0.245352 0.062234 0.116 Uiso 0.5092 1 calc GR . P B 1
C8 C 0.4962(4) 0.3660(6) 0.0239(4) 0.111(3) Uani 0.5092 1 d . . P B 1
H8A H 0.530486 0.357059 0.009681 0.166 Uiso 0.5092 1 calc GR . P B 1
H8B H 0.504199 0.399704 0.050230 0.166 Uiso 0.5092 1 calc GR . P B 1
H8C H 0.469901 0.400517 0.005424 0.166 Uiso 0.5092 1 calc GR . P B 1
C9 C 0.4505(5) 0.2033(8) -0.0137(3) 0.112(3) Uani 0.5092 1 d . . P B 1
H9A H 0.439258 0.139443 -0.012796 0.169 Uiso 0.5092 1 calc GR . P B 1
H9B H 0.484164 0.208639 -0.029037 0.169 Uiso 0.5092 1 calc GR . P B 1
H9C H 0.420927 0.239183 -0.028123 0.169 Uiso 0.5092 1 calc GR . P B 1
C7' C 0.4094(10) 0.303(3) 0.0553(10) 0.122(10) Uani 0.4908 1 d . . P B 2
H7'A H 0.383166 0.318233 0.031569 0.182 Uiso 0.4908 1 calc GR . P B 2
H7'B H 0.423309 0.358705 0.068953 0.182 Uiso 0.4908 1 calc GR . P B 2
H7'C H 0.390826 0.265729 0.075728 0.182 Uiso 0.4908 1 calc GR . P B 2
C8' C 0.4856(5) 0.2959(12) -0.0071(4) 0.151(5) Uani 0.4908 1 d . . P B 2
H8'A H 0.524044 0.278789 -0.010756 0.227 Uiso 0.4908 1 calc GR . P B 2
H8'B H 0.483062 0.361924 -0.003848 0.227 Uiso 0.4908 1 calc GR . P B 2
H8'C H 0.462415 0.276831 -0.032031 0.227 Uiso 0.4908 1 calc GR . P B 2
C9' C 0.4168(4) 0.1419(9) 0.0041(3) 0.130(4) Uani 0.4908 1 d . . P B 2
H9'A H 0.384761 0.169714 -0.011324 0.195 Uiso 0.4908 1 calc GR . P B 2
H9'B H 0.404089 0.097159 0.024180 0.195 Uiso 0.4908 1 calc GR . P B 2
H9'C H 0.439896 0.111797 -0.015915 0.195 Uiso 0.4908 1 calc GR . P B 2
C10 C 0.44611(10) 0.16560(18) 0.12465(8) 0.0485(6) Uani 1 1 d . . . . .
H10 H 0.442639 0.216210 0.142838 0.058 Uiso 1 1 calc R . . . .
C11 C 0.40350(11) 0.10540(19) 0.12452(8) 0.0530(6) Uani 1 1 d . . . . .
H11 H 0.405689 0.052881 0.107329 0.064 Uiso 1 1 calc R . . . .
C12 C 0.35301(10) 0.11564(17) 0.14959(8) 0.0480(6) Uani 1 1 d . . . . .
C13 C 0.35650(11) 0.14776(19) 0.19097(8) 0.0513(6) Uani 1 1 d . . . . .
H13 H 0.391694 0.163321 0.203756 0.062 Uiso 1 1 calc R . . . .
C14 C 0.30853(11) 0.15816(18) 0.21500(9) 0.0532(6) Uani 1 1 d . . . . .
H14 H 0.313036 0.183272 0.242568 0.064 Uiso 1 1 calc R . . . .
C15 C 0.25591(11) 0.13288(17) 0.19943(8) 0.0500(6) Uani 1 1 d . . . . .
C16 C 0.24936(10) 0.09746(17) 0.15591(8) 0.0477(6) Uani 1 1 d . . . . .
C17 C 0.29839(10) 0.09105(17) 0.13070(8) 0.0470(5) Uani 1 1 d . . . . .
C18 C 0.29081(11) 0.06355(19) 0.08781(8) 0.0556(6) Uani 1 1 d . . . . .
H18 H 0.322090 0.061670 0.071316 0.067 Uiso 1 1 calc R . . . .
C19 C 0.23857(12) 0.0388(2) 0.06853(9) 0.0585(7) Uani 1 1 d . . . . .
C20 C 0.19051(12) 0.0404(2) 0.09390(9) 0.0597(7) Uani 1 1 d . . . . .
C21 C 0.19759(11) 0.0695(2) 0.13653(9) 0.0592(7) Uani 1 1 d . . . . .
H21 H 0.166229 0.070260 0.152954 0.071 Uiso 1 1 calc R . . . .
C22 C 0.13720(14) 0.0148(3) 0.07374(12) 0.0817(10) Uani 1 1 d . . . . .
H22 H 0.105386 0.014184 0.089679 0.098 Uiso 1 1 calc R . . . .
C23 C 0.13270(17) -0.0087(3) 0.03146(14) 0.0958(12) Uani 1 1 d . . . . .
H23 H 0.097441 -0.023888 0.018671 0.115 Uiso 1 1 calc R . . . .
C24 C 0.17999(17) -0.0107(3) 0.00630(12) 0.0928(11) Uani 1 1 d . . . . .
H24 H 0.175934 -0.027286 -0.022649 0.111 Uiso 1 1 calc R . . . .
C25 C 0.23082(15) 0.0116(3) 0.02450(10) 0.0789(9) Uani 1 1 d . . . . .
H25 H 0.261973 0.009250 0.007887 0.095 Uiso 1 1 calc R . . . .
C26 C 0.20660(12) 0.14218(19) 0.22597(9) 0.0556(6) Uani 1 1 d . . . . .
H26 H 0.171871 0.154411 0.211559 0.067 Uiso 1 1 calc R . . . .
C27 C 0.20782(11) 0.13447(17) 0.26882(9) 0.0503(6) Uani 1 1 d . . . . .
H27 H 0.243669 0.128042 0.282353 0.060 Uiso 1 1 calc R . . . .
C28 C 0.23996(18) 0.3156(3) 0.31691(15) 0.1074(14) Uani 1 1 d . . . . .
H28A H 0.246192 0.309067 0.286847 0.161 Uiso 1 1 calc GR . . . .
H28B H 0.264046 0.273484 0.333400 0.161 Uiso 1 1 calc GR . . . .
H28C H 0.248320 0.378100 0.325889 0.161 Uiso 1 1 calc GR . . . .
C29 C 0.1301(3) 0.3787(3) 0.29362(19) 0.138(2) Uani 1 1 d . . . . .
H29A H 0.146027 0.438175 0.301018 0.207 Uiso 1 1 calc GR . . . .
H29B H 0.090849 0.378309 0.299360 0.207 Uiso 1 1 calc GR . . . .
H29C H 0.133885 0.366671 0.263567 0.207 Uiso 1 1 calc GR . . . .
C30 C 0.1658(2) 0.3284(3) 0.38142(13) 0.1160(17) Uani 1 1 d . . . . .
H30A H 0.184643 0.387134 0.384579 0.174 Uiso 1 1 calc GR . . . .
H30B H 0.184799 0.283638 0.400060 0.174 Uiso 1 1 calc GR . . . .
H30C H 0.127466 0.334801 0.389000 0.174 Uiso 1 1 calc GR . . . .
C31 C 0.02264(16) 0.2342(3) 0.36154(14) 0.1019(13) Uani 1 1 d . . . . .
H31A H 0.011242 0.257675 0.333409 0.153 Uiso 1 1 calc GR . . . .
H31B H 0.045051 0.279982 0.377164 0.153 Uiso 1 1 calc GR . . . .
H31C H -0.010184 0.220437 0.376837 0.153 Uiso 1 1 calc GR . . . .
C32 C 0.07783(18) 0.0935(4) 0.41212(10) 0.1043(14) Uani 1 1 d . . . . .
H32A H 0.042989 0.091780 0.426126 0.156 Uiso 1 1 calc GR . . . .
H32B H 0.103007 0.137095 0.426631 0.156 Uiso 1 1 calc GR . . . .
H32C H 0.094730 0.032987 0.413100 0.156 Uiso 1 1 calc GR . . . .
C33 C 0.00630(13) 0.0517(3) 0.33869(13) 0.0913(11) Uani 1 1 d . . . . .
H33A H -0.026024 0.065421 0.354578 0.137 Uiso 1 1 calc GR . . . .
H33B H 0.017538 -0.011492 0.343798 0.137 Uiso 1 1 calc GR . . . .
H33C H -0.003048 0.060639 0.308464 0.137 Uiso 1 1 calc GR . . . .
C34 C 0.2115(2) -0.0717(3) 0.28512(16) 0.1180(17) Uani 1 1 d . . . . .
H34A H 0.210388 -0.138225 0.285051 0.177 Uiso 1 1 calc GR . . . .
H34B H 0.238986 -0.050763 0.307006 0.177 Uiso 1 1 calc GR . . . .
H34C H 0.221718 -0.049924 0.257470 0.177 Uiso 1 1 calc GR . . . .
C35 C 0.0988(3) -0.0666(3) 0.25047(17) 0.155(2) Uani 1 1 d . . . . .
H35A H 0.100651 -0.133067 0.249115 0.233 Uiso 1 1 calc GR . . . .
H35B H 0.112166 -0.040697 0.224558 0.233 Uiso 1 1 calc GR . . . .
H35C H 0.060514 -0.047695 0.253338 0.233 Uiso 1 1 calc GR . . . .
C36 C 0.12552(19) -0.1032(2) 0.33996(14) 0.0990(13) Uani 1 1 d . . . . .
H36A H 0.085344 -0.106571 0.341509 0.148 Uiso 1 1 calc GR . . . .
H36B H 0.142307 -0.079761 0.366693 0.148 Uiso 1 1 calc GR . . . .
H36C H 0.140092 -0.164037 0.334755 0.148 Uiso 1 1 calc GR . . . .
C37 C 0.50104(13) 0.0518(3) 0.06813(12) 0.0795(10) Uani 1 1 d . . . . .
C38 C 0.09341(12) 0.1670(2) 0.26565(9) 0.0594(7) Uani 1 1 d . . . . .
C39 C 0.2226(4) 0.3242(6) 0.1066(3) 0.211(4) Uani 1 1 d . . . . .
H39A H 0.238071 0.384798 0.114113 0.253 Uiso 1 1 calc R . . . .
H39B H 0.246062 0.278351 0.121948 0.253 Uiso 1 1 calc R . . . .
Cl1 Cl 0.53999(5) 0.31958(7) 0.12140(5) 0.1160(4) Uani 1 1 d . . . . .
Cl2 Cl 0.21103(3) 0.09441(6) 0.37061(2) 0.0710(2) Uani 1 1 d . . . . .
Cl3 Cl 0.22730(13) 0.3083(2) 0.05476(12) 0.2670(14) Uani 1 1 d . . . . .
Cl4 Cl 0.15840(14) 0.31790(16) 0.12412(10) 0.2476(13) Uani 1 1 d . . . . .
O1 O 0.48796(14) -0.0181(2) 0.05527(13) 0.1412(14) Uani 1 1 d . . . . .
O2 O 0.06398(10) 0.1901(2) 0.23685(8) 0.0964(8) Uani 1 1 d . . . . .
P1 P 0.55921(4) 0.09988(8) 0.15496(3) 0.0812(3) Uani 1 1 d . . . . .
P2 P 0.60727(3) 0.16754(7) 0.05551(3) 0.0679(2) Uani 1 1 d . . . . .
P3 P 0.46313(4) 0.24333(9) 0.03709(3) 0.0885(3) Uani 1 1 d . . . . .
P4 P 0.16680(4) 0.28955(5) 0.32558(3) 0.0687(2) Uani 1 1 d . . . . .
P5 P 0.06410(3) 0.12881(6) 0.35621(2) 0.05903(19) Uani 1 1 d . . . . .
P6 P 0.14221(4) -0.02615(5) 0.29619(3) 0.0702(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C10 2.098(2) . ?
Ru1 C37 1.826(4) . ?
Ru1 Cl1 2.4539(10) . ?
Ru1 P1 2.3494(9) . ?
Ru1 P2 2.4135(7) . ?
Ru1 P3 2.3574(9) . ?
Ru2 C27 2.099(2) . ?
Ru2 C38 1.810(3) . ?
Ru2 Cl2 2.4770(8) . ?
Ru2 P4 2.3518(8) . ?
Ru2 P5 2.4010(7) . ?
Ru2 P6 2.3594(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 P1 1.919(17) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 P1 1.715(15) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 P1 1.877(16) . ?
C1' H1'A 0.9600 . ?
C1' H1'B 0.9600 . ?
C1' H1'C 0.9600 . ?
C1' P1 1.728(15) . ?
C2' H2'A 0.9600 . ?
C2' H2'B 0.9600 . ?
C2' H2'C 0.9600 . ?
C2' P1 1.971(19) . ?
C3' H3'A 0.9600 . ?
C3' H3'B 0.9600 . ?
C3' H3'C 0.9600 . ?
C3' P1 1.71(2) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C4 P2 1.819(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 P2 1.832(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 P2 1.816(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 P3 1.850(19) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 P3 1.989(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 P3 1.689(8) . ?
C7' H7'A 0.9600 . ?
C7' H7'B 0.9600 . ?
C7' H7'C 0.9600 . ?
C7' P3 1.67(2) . ?
C8' H8'A 0.9600 . ?
C8' H8'B 0.9600 . ?
C8' H8'C 0.9600 . ?
C8' P3 1.686(9) . ?
C9' H9'A 0.9600 . ?
C9' H9'B 0.9600 . ?
C9' H9'C 0.9600 . ?
C9' P3 2.063(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.333(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.479(3) . ?
C12 C13 1.364(4) . ?
C12 C17 1.434(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.410(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.361(4) . ?
C15 C16 1.445(4) . ?
C15 C26 1.482(3) . ?
C16 C17 1.448(3) . ?
C16 C21 1.394(4) . ?
C17 C18 1.391(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.390(4) . ?
C19 C20 1.429(4) . ?
C19 C25 1.424(4) . ?
C20 C21 1.389(4) . ?
C20 C22 1.425(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.355(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.410(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.339(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.335(4) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 P4 1.815(4) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 P4 1.813(4) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 P4 1.825(4) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 P5 1.824(4) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 P5 1.820(3) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C33 P5 1.822(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34 P6 1.826(4) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 P6 1.798(5) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 P6 1.820(4) . ?
C37 O1 1.120(4) . ?
C38 O2 1.149(4) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 Cl3 1.639(9) . ?
C39 Cl4 1.655(9) . ?

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
C10 Ru1 Cl1 87.32(7) . . ?
C10 Ru1 P1 82.77(7) . . ?
C10 Ru1 P2 176.73(7) . . ?
C10 Ru1 P3 84.24(7) . . ?
C37 Ru1 C10 90.30(11) . . ?
C37 Ru1 Cl1 177.33(10) . . ?
C37 Ru1 P1 92.28(13) . . ?
C37 Ru1 P2 91.81(9) . . ?
C37 Ru1 P3 92.43(13) . . ?
P1 Ru1 Cl1 88.64(5) . . ?
P1 Ru1 P2 94.65(3) . . ?
P1 Ru1 P3 166.20(3) . . ?
P2 Ru1 Cl1 90.62(3) . . ?
P3 Ru1 Cl1 86.11(5) . . ?
P3 Ru1 P2 98.16(3) . . ?
C27 Ru2 Cl2 88.77(8) . . ?
C27 Ru2 P4 86.20(7) . . ?
C27 Ru2 P5 177.27(8) . . ?
C27 Ru2 P6 82.54(7) . . ?
C38 Ru2 C27 89.26(11) . . ?
C38 Ru2 Cl2 177.54(9) . . ?
C38 Ru2 P4 92.73(10) . . ?
C38 Ru2 P5 89.47(9) . . ?
C38 Ru2 P6 96.81(10) . . ?
P4 Ru2 Cl2 85.68(3) . . ?
P4 Ru2 P5 96.27(3) . . ?
P4 Ru2 P6 165.12(3) . . ?
P5 Ru2 Cl2 92.56(3) . . ?
P6 Ru2 Cl2 84.38(3) . . ?
P6 Ru2 P5 95.21(3) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H1'A C1' H1'B 109.5 . . ?
H1'A C1' H1'C 109.5 . . ?
H1'B C1' H1'C 109.5 . . ?
P1 C1' H1'A 109.5 . . ?
P1 C1' H1'B 109.5 . . ?
P1 C1' H1'C 109.5 . . ?
H2'A C2' H2'B 109.5 . . ?
H2'A C2' H2'C 109.5 . . ?
H2'B C2' H2'C 109.5 . . ?
P1 C2' H2'A 109.5 . . ?
P1 C2' H2'B 109.5 . . ?
P1 C2' H2'C 109.5 . . ?
H3'A C3' H3'B 109.5 . . ?
H3'A C3' H3'C 109.5 . . ?
H3'B C3' H3'C 109.5 . . ?
P1 C3' H3'A 109.5 . . ?
P1 C3' H3'B 109.5 . . ?
P1 C3' H3'C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P3 C7 H7A 109.5 . . ?
P3 C7 H7B 109.5 . . ?
P3 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P3 C8 H8A 109.5 . . ?
P3 C8 H8B 109.5 . . ?
P3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C9 H9A 109.5 . . ?
P3 C9 H9B 109.5 . . ?
P3 C9 H9C 109.5 . . ?
H7'A C7' H7'B 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
P3 C7' H7'A 109.5 . . ?
P3 C7' H7'B 109.5 . . ?
P3 C7' H7'C 109.5 . . ?
H8'A C8' H8'B 109.5 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.5 . . ?
P3 C8' H8'A 109.5 . . ?
P3 C8' H8'B 109.5 . . ?
P3 C8' H8'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
P3 C9' H9'A 109.5 . . ?
P3 C9' H9'B 109.5 . . ?
P3 C9' H9'C 109.5 . . ?
Ru1 C10 H10 114.6 . . ?
C11 C10 Ru1 130.89(19) . . ?
C11 C10 H10 114.6 . . ?
C10 C11 H11 117.5 . . ?
C10 C11 C12 125.1(2) . . ?
C12 C11 H11 117.5 . . ?
C13 C12 C11 121.9(2) . . ?
C13 C12 C17 117.9(2) . . ?
C17 C12 C11 120.2(2) . . ?
C12 C13 H13 118.9 . . ?
C12 C13 C14 122.2(3) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 118.7 . . ?
C15 C14 C13 122.6(3) . . ?
C15 C14 H14 118.7 . . ?
C14 C15 C16 117.9(2) . . ?
C14 C15 C26 121.3(2) . . ?
C16 C15 C26 120.8(2) . . ?
C15 C16 C17 119.2(2) . . ?
C21 C16 C15 123.1(2) . . ?
C21 C16 C17 117.8(2) . . ?
C12 C17 C16 120.1(2) . . ?
C18 C17 C12 121.4(2) . . ?
C18 C17 C16 118.5(2) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 C17 122.9(2) . . ?
C19 C18 H18 118.5 . . ?
C18 C19 C20 118.7(2) . . ?
C18 C19 C25 122.8(3) . . ?
C25 C19 C20 118.4(3) . . ?
C21 C20 C19 118.6(3) . . ?
C21 C20 C22 123.2(3) . . ?
C22 C20 C19 118.2(3) . . ?
C16 C21 H21 118.4 . . ?
C20 C21 C16 123.3(2) . . ?
C20 C21 H21 118.4 . . ?
C20 C22 H22 119.9 . . ?
C23 C22 C20 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.8(4) . . ?
C24 C23 H23 119.1 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.3(3) . . ?
C25 C24 H24 120.3 . . ?
C19 C25 H25 119.0 . . ?
C24 C25 C19 122.0(3) . . ?
C24 C25 H25 119.0 . . ?
C15 C26 H26 117.3 . . ?
C27 C26 C15 125.5(3) . . ?
C27 C26 H26 117.3 . . ?
Ru2 C27 H27 114.8 . . ?
C26 C27 Ru2 130.3(2) . . ?
C26 C27 H27 114.8 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
P4 C28 H28A 109.5 . . ?
P4 C28 H28B 109.5 . . ?
P4 C28 H28C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
P4 C29 H29A 109.5 . . ?
P4 C29 H29B 109.5 . . ?
P4 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P4 C30 H30A 109.5 . . ?
P4 C30 H30B 109.5 . . ?
P4 C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P5 C31 H31A 109.5 . . ?
P5 C31 H31B 109.5 . . ?
P5 C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
P5 C32 H32A 109.5 . . ?
P5 C32 H32B 109.5 . . ?
P5 C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P5 C33 H33A 109.5 . . ?
P5 C33 H33B 109.5 . . ?
P5 C33 H33C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
P6 C34 H34A 109.5 . . ?
P6 C34 H34B 109.5 . . ?
P6 C34 H34C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
P6 C35 H35A 109.5 . . ?
P6 C35 H35B 109.5 . . ?
P6 C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P6 C36 H36A 109.5 . . ?
P6 C36 H36B 109.5 . . ?
P6 C36 H36C 109.5 . . ?
O1 C37 Ru1 177.3(3) . . ?
O2 C38 Ru2 177.6(3) . . ?
H39A C39 H39B 107.4 . . ?
Cl3 C39 H39A 108.3 . . ?
Cl3 C39 H39B 108.3 . . ?
Cl3 C39 Cl4 116.0(6) . . ?
Cl4 C39 H39A 108.3 . . ?
Cl4 C39 H39B 108.3 . . ?
C1 P1 Ru1 106.7(5) . . ?
C2 P1 Ru1 118.4(6) . . ?
C2 P1 C1 100.5(7) . . ?
C2 P1 C3 101.8(8) . . ?
C3 P1 Ru1 126.6(6) . . ?
C3 P1 C1 98.3(9) . . ?
C1' P1 Ru1 120.4(6) . . ?
C1' P1 C2' 100.8(8) . . ?
C2' P1 Ru1 109.1(7) . . ?
C3' P1 Ru1 120.8(7) . . ?
C3' P1 C1' 99.3(11) . . ?
C3' P1 C2' 103.6(11) . . ?
C4 P2 Ru1 117.41(14) . . ?
C4 P2 C5 100.8(2) . . ?
C5 P2 Ru1 120.50(14) . . ?
C6 P2 Ru1 114.43(15) . . ?
C6 P2 C4 101.2(2) . . ?
C6 P2 C5 99.3(2) . . ?
C7 P3 Ru1 119.1(9) . . ?
C7 P3 C8 93.8(10) . . ?
C8 P3 Ru1 110.8(3) . . ?
C9 P3 Ru1 123.9(3) . . ?
C9 P3 C7 104.4(9) . . ?
C9 P3 C8 99.2(5) . . ?
C7' P3 Ru1 114.8(12) . . ?
C7' P3 C8' 109.5(14) . . ?
C7' P3 C9' 97.9(11) . . ?
C8' P3 Ru1 126.5(4) . . ?
C8' P3 C9' 95.7(7) . . ?
C9' P3 Ru1 106.0(3) . . ?
C28 P4 Ru2 113.55(14) . . ?
C28 P4 C30 98.6(2) . . ?
C29 P4 Ru2 117.23(17) . . ?
C29 P4 C28 101.8(2) . . ?
C29 P4 C30 105.6(2) . . ?
C30 P4 Ru2 117.52(14) . . ?
C31 P5 Ru2 117.71(14) . . ?
C32 P5 Ru2 118.49(13) . . ?
C32 P5 C31 102.2(2) . . ?
C32 P5 C33 101.5(2) . . ?
C33 P5 Ru2 115.93(13) . . ?
C33 P5 C31 97.7(2) . . ?
C34 P6 Ru2 113.79(14) . . ?
C35 P6 Ru2 117.29(18) . . ?
C35 P6 C34 102.3(3) . . ?
C35 P6 C36 104.5(2) . . ?
C36 P6 Ru2 117.04(13) . . ?
C36 P6 C34 99.44(19) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1B Cl1 0.96 2.36 3.139(13) 137.4 . yes
C8 H8B Cl1 0.96 2.59 3.211(11) 122.6 . yes

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
Ru1 C10 C11 C12 -178.4(2) . . . . ?
C10 C11 C12 C13 -40.6(4) . . . . ?
C10 C11 C12 C17 139.8(3) . . . . ?
C11 C12 C13 C14 179.7(3) . . . . ?
C11 C12 C17 C16 177.4(2) . . . . ?
C11 C12 C17 C18 -4.6(4) . . . . ?
C12 C13 C14 C15 3.2(4) . . . . ?
C12 C17 C18 C19 179.6(2) . . . . ?
C13 C12 C17 C16 -2.2(4) . . . . ?
C13 C12 C17 C18 175.7(2) . . . . ?
C13 C14 C15 C16 -2.4(4) . . . . ?
C13 C14 C15 C26 178.2(2) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C14 C15 C16 C21 -180.0(2) . . . . ?
C14 C15 C26 C27 -31.3(4) . . . . ?
C15 C16 C17 C12 2.8(3) . . . . ?
C15 C16 C17 C18 -175.2(2) . . . . ?
C15 C16 C21 C20 176.2(3) . . . . ?
C15 C26 C27 Ru2 -174.3(2) . . . . ?
C16 C15 C26 C27 149.3(3) . . . . ?
C16 C17 C18 C19 -2.4(4) . . . . ?
C17 C12 C13 C14 -0.7(4) . . . . ?
C17 C16 C21 C20 -3.3(4) . . . . ?
C17 C18 C19 C20 -0.8(4) . . . . ?
C17 C18 C19 C25 179.3(3) . . . . ?
C18 C19 C20 C21 2.0(4) . . . . ?
C18 C19 C20 C22 -180.0(3) . . . . ?
C18 C19 C25 C24 -178.9(3) . . . . ?
C19 C20 C21 C16 0.2(4) . . . . ?
C19 C20 C22 C23 -1.2(5) . . . . ?
C20 C19 C25 C24 1.2(5) . . . . ?
C20 C22 C23 C24 1.4(7) . . . . ?
C21 C16 C17 C12 -177.7(2) . . . . ?
C21 C16 C17 C18 4.3(4) . . . . ?
C21 C20 C22 C23 176.8(3) . . . . ?
C22 C20 C21 C16 -177.8(3) . . . . ?
C22 C23 C24 C25 -0.3(7) . . . . ?
C23 C24 C25 C19 -1.0(6) . . . . ?
C25 C19 C20 C21 -178.2(3) . . . . ?
C25 C19 C20 C22 -0.1(4) . . . . ?
C26 C15 C16 C17 178.8(2) . . . . ?
C26 C15 C16 C21 -0.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_111224f_0m
_database_code_depnum_ccdc_archive 'CCDC 1992053'
_audit_update_record             
;
2020-10-21 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C32 H40 Cl O P3 Ru, C6 H14, C H2 Cl2'
_chemical_formula_sum            'C39 H56 Cl3 O P3 Ru'
_chemical_formula_weight         841.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.6187(11)
_cell_length_b                   13.0122(12)
_cell_length_c                   25.898(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.0210(10)
_cell_angle_gamma                90
_cell_volume                     4228.9(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      31.843
_cell_measurement_theta_min      2.225
_shelx_estimated_absorpt_T_max   0.933
_shelx_estimated_absorpt_T_min   0.896
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.9331
_exptl_absorpt_correction_T_min  0.8960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_meas      ,
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27161
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.753
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6730
_reflns_number_total             7408
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         1.029
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         7408
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0468
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0792P)²+12.9995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1367
_refine_ls_wR_factor_ref         0.1468
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C33-C35 = C34-C36 = C35-C37 = C36-C38
 2.52 with sigma of 0.02
 C33-C34 = C34-C35 = C35-C36 = C36-C37 = C37-C38
 1.51 with sigma of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B), C39(H39A,H39B)
3.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C23(H23),
 C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C33(H33A,H33B,H33C), C38(H38A,H38B,H38C)
3.d :
 C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 1.00210(2) 0.06735(2) 0.24075(2) 0.02324(12) Uani 1 1 d . . . . .
C1 C 0.8822(5) 0.1947(4) 0.12588(19) 0.0518(13) Uani 1 1 d . . . . .
H1A H 0.871267 0.257754 0.145308 0.078 Uiso 1 1 calc GR . . . .
H1B H 0.821267 0.148599 0.127799 0.078 Uiso 1 1 calc GR . . . .
H1C H 0.888708 0.211804 0.089507 0.078 Uiso 1 1 calc GR . . . .
C2 C 1.1062(5) 0.2214(5) 0.1402(2) 0.0606(16) Uani 1 1 d . . . . .
H2A H 1.098828 0.237203 0.102979 0.091 Uiso 1 1 calc GR . . . .
H2B H 1.176551 0.191201 0.150148 0.091 Uiso 1 1 calc GR . . . .
H2C H 1.098739 0.284686 0.159977 0.091 Uiso 1 1 calc GR . . . .
C3 C 1.0098(5) 0.0341(4) 0.10324(18) 0.0519(13) Uani 1 1 d . . . . .
H3A H 0.997951 0.067038 0.069080 0.078 Uiso 1 1 calc GR . . . .
H3B H 0.954596 -0.017802 0.106362 0.078 Uiso 1 1 calc GR . . . .
H3C H 1.080036 0.001246 0.107093 0.078 Uiso 1 1 calc GR . . . .
C4 C 0.9426(5) 0.3365(3) 0.2493(2) 0.0477(12) Uani 1 1 d . . . . .
H4A H 0.901053 0.388204 0.265927 0.072 Uiso 1 1 calc GR . . . .
H4B H 0.929516 0.343332 0.211525 0.072 Uiso 1 1 calc GR . . . .
H4C H 1.018646 0.346696 0.260244 0.072 Uiso 1 1 calc GR . . . .
C5 C 0.9099(4) 0.2270(4) 0.33850(17) 0.0427(11) Uani 1 1 d . . . . .
H5A H 0.984703 0.231121 0.353029 0.064 Uiso 1 1 calc GR . . . .
H5B H 0.875543 0.168993 0.354252 0.064 Uiso 1 1 calc GR . . . .
H5C H 0.873271 0.290858 0.345880 0.064 Uiso 1 1 calc GR . . . .
C6 C 0.7591(4) 0.2053(4) 0.2500(2) 0.0482(12) Uani 1 1 d . . . . .
H6A H 0.729706 0.140627 0.261596 0.072 Uiso 1 1 calc GR . . . .
H6B H 0.744953 0.210725 0.212141 0.072 Uiso 1 1 calc GR . . . .
H6C H 0.725503 0.263166 0.266242 0.072 Uiso 1 1 calc GR . . . .
C7 C 1.2391(5) -0.0394(6) 0.1972(3) 0.0695(18) Uani 1 1 d . . . . .
H7A H 1.288821 -0.097445 0.200819 0.104 Uiso 1 1 calc GR . . . .
H7B H 1.273950 0.021989 0.212924 0.104 Uiso 1 1 calc GR . . . .
H7C H 1.217668 -0.026609 0.160263 0.104 Uiso 1 1 calc GR . . . .
C8 C 1.0699(6) -0.1847(5) 0.1988(3) 0.076(2) Uani 1 1 d . . . . .
H8A H 1.129036 -0.231255 0.193949 0.115 Uiso 1 1 calc GR . . . .
H8B H 1.032005 -0.167513 0.164863 0.115 Uiso 1 1 calc GR . . . .
H8C H 1.020657 -0.218224 0.220311 0.115 Uiso 1 1 calc GR . . . .
C9 C 1.1897(5) -0.1208(5) 0.2889(2) 0.0605(16) Uani 1 1 d . . . . .
H9A H 1.139428 -0.159154 0.307990 0.091 Uiso 1 1 calc GR . . . .
H9B H 1.220413 -0.064203 0.310537 0.091 Uiso 1 1 calc GR . . . .
H9C H 1.246714 -0.166815 0.280290 0.091 Uiso 1 1 calc GR . . . .
C10 C 0.8831(3) -0.0060(3) 0.21718(16) 0.0314(9) Uani 1 1 d . . . . .
C11 C 0.9927(3) 0.0129(3) 0.31695(15) 0.0258(8) Uani 1 1 d . . . . .
H11 H 1.045937 0.037852 0.342552 0.031 Uiso 1 1 calc R . . . .
C12 C 0.9221(3) -0.0519(3) 0.33401(15) 0.0284(8) Uani 1 1 d . . . . .
H12 H 0.878969 -0.088827 0.308024 0.034 Uiso 1 1 calc R . . . .
C13 C 0.9025(3) -0.0736(3) 0.38852(15) 0.0287(8) Uani 1 1 d . . . . .
C14 C 0.9813(3) -0.1046(3) 0.42757(16) 0.0324(9) Uani 1 1 d . . . . .
C15 C 1.0898(4) -0.1171(4) 0.41848(19) 0.0445(11) Uani 1 1 d . . . . .
H15 H 1.109994 -0.103335 0.384847 0.053 Uiso 1 1 calc R . . . .
C16 C 1.1657(4) -0.1482(5) 0.4568(2) 0.0618(16) Uani 1 1 d . . . . .
H16 H 1.237611 -0.155190 0.449636 0.074 Uiso 1 1 calc R . . . .
C17 C 1.1378(4) -0.1697(6) 0.5064(2) 0.0666(17) Uani 1 1 d . . . . .
H17 H 1.191262 -0.191326 0.532698 0.080 Uiso 1 1 calc R . . . .
C18 C 1.0362(4) -0.1601(5) 0.5175(2) 0.0538(14) Uani 1 1 d . . . . .
H18 H 1.019565 -0.173947 0.551804 0.065 Uiso 1 1 calc R . . . .
C19 C 0.9534(4) -0.1298(3) 0.47886(16) 0.0348(9) Uani 1 1 d . . . . .
C20 C 0.8475(4) -0.1248(3) 0.48980(16) 0.0334(9) Uani 1 1 d . . . . .
C21 C 0.7659(3) -0.0914(3) 0.45152(15) 0.0286(8) Uani 1 1 d . . . . .
C22 C 0.7953(3) -0.0625(3) 0.40090(15) 0.0269(8) Uani 1 1 d . . . . .
C23 C 0.7145(3) -0.0216(3) 0.36502(15) 0.0288(8) Uani 1 1 d . . . . .
H23 H 0.732630 -0.000157 0.331999 0.035 Uiso 1 1 calc R . . . .
C24 C 0.6095(3) -0.0114(3) 0.37592(15) 0.0286(8) Uani 1 1 d . . . . .
C25 C 0.5805(3) -0.0469(3) 0.42499(16) 0.0290(8) Uani 1 1 d . . . . .
C26 C 0.6594(3) -0.0841(3) 0.46125(16) 0.0317(9) Uani 1 1 d . . . . .
H26 H 0.640335 -0.105589 0.494107 0.038 Uiso 1 1 calc R . . . .
C27 C 0.4700(3) -0.0403(3) 0.43454(17) 0.0356(9) Uani 1 1 d . . . . .
H27 H 0.448959 -0.064718 0.466507 0.043 Uiso 1 1 calc R . . . .
C28 C 0.3961(4) 0.0000(4) 0.39866(19) 0.0408(10) Uani 1 1 d . . . . .
H28 H 0.323717 0.003086 0.405625 0.049 Uiso 1 1 calc R . . . .
C29 C 0.4255(4) 0.0383(4) 0.35020(18) 0.0395(10) Uani 1 1 d . . . . .
H29 H 0.373061 0.068144 0.325752 0.047 Uiso 1 1 calc R . . . .
C30 C 0.5281(4) 0.0319(3) 0.33922(17) 0.0352(9) Uani 1 1 d . . . . .
H30 H 0.546444 0.056373 0.306773 0.042 Uiso 1 1 calc R . . . .
C31 C 0.8214(4) -0.1533(4) 0.54044(17) 0.0410(10) Uani 1 1 d . . . . .
C32 C 0.8028(4) -0.1772(5) 0.58319(19) 0.0552(14) Uani 1 1 d . . . . .
H32 H 0.788015 -0.196183 0.617125 0.066 Uiso 1 1 calc R . . . .
C33 C 0.7668(10) 0.5026(12) 0.5242(5) 0.168(6) Uani 1 1 d D . . . .
H33A H 0.701061 0.479425 0.504010 0.252 Uiso 1 1 calc GR . . . .
H33B H 0.749048 0.538194 0.555514 0.252 Uiso 1 1 calc GR . . . .
H33C H 0.812009 0.443144 0.534094 0.252 Uiso 1 1 calc GR . . . .
C34 C 0.8256(10) 0.5753(9) 0.4917(4) 0.140(4) Uani 1 1 d D . . . .
H34A H 0.778595 0.634675 0.481934 0.168 Uiso 1 1 calc R . . . .
H34B H 0.888823 0.601855 0.513490 0.168 Uiso 1 1 calc R . . . .
C35 C 0.8618(8) 0.5312(8) 0.4433(4) 0.135(4) Uani 1 1 d D . . . .
H35A H 0.798235 0.506754 0.420977 0.162 Uiso 1 1 calc R . . . .
H35B H 0.906705 0.470356 0.452940 0.162 Uiso 1 1 calc R . . . .
C36 C 0.9233(7) 0.6020(7) 0.4117(4) 0.111(3) Uani 1 1 d D . . . .
H36A H 0.878847 0.663084 0.402121 0.133 Uiso 1 1 calc R . . . .
H36B H 0.987533 0.625767 0.433710 0.133 Uiso 1 1 calc R . . . .
C37 C 0.9572(9) 0.5562(8) 0.3637(4) 0.138(4) Uani 1 1 d D . . . .
H37A H 0.893051 0.531521 0.341917 0.165 Uiso 1 1 calc R . . . .
H37B H 1.002456 0.495602 0.373333 0.165 Uiso 1 1 calc R . . . .
C38 C 1.0175(9) 0.6274(9) 0.3318(5) 0.137(4) Uani 1 1 d D . . . .
H38A H 0.982098 0.694513 0.329263 0.205 Uiso 1 1 calc GR . . . .
H38B H 1.019279 0.598612 0.296926 0.205 Uiso 1 1 calc GR . . . .
H38C H 1.090459 0.635551 0.348361 0.205 Uiso 1 1 calc GR . . . .
C39 C 0.9273(7) 0.7244(5) 0.0623(3) 0.083(2) Uani 1 1 d . . . . .
H39A H 0.983276 0.686646 0.084290 0.100 Uiso 1 1 calc R . . . .
H39B H 0.883707 0.672766 0.041621 0.100 Uiso 1 1 calc R . . . .
Cl1 Cl 1.16266(9) 0.16646(9) 0.27474(4) 0.0385(3) Uani 1 1 d . . . . .
Cl2 Cl 0.84644(14) 0.78505(15) 0.10284(7) 0.0793(5) Uani 1 1 d . . . . .
Cl3 Cl 0.9864(4) 0.79748(19) 0.02175(13) 0.186(2) Uani 1 1 d . . . . .
O1 O 0.8096(3) -0.0484(3) 0.20232(14) 0.0443(8) Uani 1 1 d . . . . .
P1 P 1.00381(9) 0.13101(8) 0.15391(4) 0.0329(3) Uani 1 1 d . . . . .
P2 P 0.90296(9) 0.20817(8) 0.26858(4) 0.0305(2) Uani 1 1 d . . . . .
P3 P 1.12066(9) -0.06973(9) 0.23003(4) 0.0336(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C10 1.829(5) . ?
Ru1 C11 2.112(4) . ?
Ru1 Cl1 2.4838(11) . ?
Ru1 P1 2.3988(11) . ?
Ru1 P2 2.3730(11) . ?
Ru1 P3 2.3630(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 P1 1.826(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 P1 1.810(5) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 P1 1.827(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 P2 1.827(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 P2 1.820(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 P2 1.829(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 P3 1.839(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 P3 1.787(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 P3 1.802(5) . ?
C10 O1 1.112(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.336(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.485(6) . ?
C13 C14 1.401(6) . ?
C13 C22 1.430(6) . ?
C14 C15 1.422(6) . ?
C14 C19 1.447(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.366(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.394(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.349(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.426(6) . ?
C19 C20 1.397(6) . ?
C20 C21 1.420(6) . ?
C20 C31 1.434(6) . ?
C21 C22 1.449(6) . ?
C21 C26 1.397(6) . ?
C22 C23 1.409(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.390(6) . ?
C24 C25 1.435(6) . ?
C24 C30 1.440(6) . ?
C25 C26 1.382(6) . ?
C25 C27 1.444(6) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.352(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.435(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.356(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.197(7) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33 C34 1.512(9) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.494(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.501(8) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.482(8) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.501(8) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 Cl2 1.729(8) . ?
C39 Cl3 1.652(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 Ru1 C11 90.71(16) . . ?
C10 Ru1 Cl1 178.74(13) . . ?
C10 Ru1 P1 87.42(13) . . ?
C10 Ru1 P2 93.64(13) . . ?
C10 Ru1 P3 94.30(13) . . ?
C11 Ru1 Cl1 88.09(11) . . ?
C11 Ru1 P1 177.26(10) . . ?
C11 Ru1 P2 83.82(10) . . ?
C11 Ru1 P3 87.40(10) . . ?
P1 Ru1 Cl1 93.77(4) . . ?
P2 Ru1 Cl1 85.86(4) . . ?
P2 Ru1 P1 94.30(4) . . ?
P3 Ru1 Cl1 86.02(4) . . ?
P3 Ru1 P1 94.73(4) . . ?
P3 Ru1 P2 168.22(4) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P3 C7 H7A 109.5 . . ?
P3 C7 H7B 109.5 . . ?
P3 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P3 C8 H8A 109.5 . . ?
P3 C8 H8B 109.5 . . ?
P3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C9 H9A 109.5 . . ?
P3 C9 H9B 109.5 . . ?
P3 C9 H9C 109.5 . . ?
O1 C10 Ru1 178.3(4) . . ?
Ru1 C11 H11 115.6 . . ?
C12 C11 Ru1 128.7(3) . . ?
C12 C11 H11 115.6 . . ?
C11 C12 H12 115.9 . . ?
C11 C12 C13 128.1(4) . . ?
C13 C12 H12 115.9 . . ?
C14 C13 C12 124.4(4) . . ?
C14 C13 C22 118.9(4) . . ?
C22 C13 C12 116.7(4) . . ?
C13 C14 C15 122.4(4) . . ?
C13 C14 C19 120.4(4) . . ?
C15 C14 C19 117.2(4) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 C14 121.8(4) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(5) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(5) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.2(5) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 C14 118.5(4) . . ?
C20 C19 C14 120.4(4) . . ?
C20 C19 C18 121.1(4) . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 C31 119.3(4) . . ?
C21 C20 C31 119.9(4) . . ?
C20 C21 C22 118.4(4) . . ?
C26 C21 C20 122.4(4) . . ?
C26 C21 C22 119.2(4) . . ?
C13 C22 C21 121.0(4) . . ?
C23 C22 C13 121.7(4) . . ?
C23 C22 C21 117.3(4) . . ?
C22 C23 H23 118.6 . . ?
C24 C23 C22 122.8(4) . . ?
C24 C23 H23 118.6 . . ?
C23 C24 C25 119.1(4) . . ?
C23 C24 C30 122.2(4) . . ?
C25 C24 C30 118.7(4) . . ?
C24 C25 C27 118.2(4) . . ?
C26 C25 C24 118.8(4) . . ?
C26 C25 C27 122.9(4) . . ?
C21 C26 H26 118.7 . . ?
C25 C26 C21 122.6(4) . . ?
C25 C26 H26 118.7 . . ?
C25 C27 H27 119.5 . . ?
C28 C27 C25 121.0(4) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.8(4) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C24 C30 H30 119.5 . . ?
C29 C30 C24 121.1(4) . . ?
C29 C30 H30 119.5 . . ?
C32 C31 C20 178.1(5) . . ?
C31 C32 H32 180.0 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
C33 C34 H34A 108.3 . . ?
C33 C34 H34B 108.3 . . ?
H34A C34 H34B 107.4 . . ?
C35 C34 C33 115.9(9) . . ?
C35 C34 H34A 108.3 . . ?
C35 C34 H34B 108.3 . . ?
C34 C35 H35A 108.2 . . ?
C34 C35 H35B 108.2 . . ?
C34 C35 C36 116.2(8) . . ?
H35A C35 H35B 107.4 . . ?
C36 C35 H35A 108.2 . . ?
C36 C35 H35B 108.2 . . ?
C35 C36 H36A 108.5 . . ?
C35 C36 H36B 108.5 . . ?
H36A C36 H36B 107.5 . . ?
C37 C36 C35 114.9(8) . . ?
C37 C36 H36A 108.5 . . ?
C37 C36 H36B 108.5 . . ?
C36 C37 H37A 108.5 . . ?
C36 C37 H37B 108.5 . . ?
C36 C37 C38 114.9(9) . . ?
H37A C37 H37B 107.5 . . ?
C38 C37 H37A 108.5 . . ?
C38 C37 H37B 108.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
H39A C39 H39B 107.2 . . ?
Cl2 C39 H39A 108.0 . . ?
Cl2 C39 H39B 108.0 . . ?
Cl3 C39 H39A 108.0 . . ?
Cl3 C39 H39B 108.0 . . ?
Cl3 C39 Cl2 117.3(4) . . ?
C1 P1 Ru1 116.07(18) . . ?
C1 P1 C3 97.1(3) . . ?
C2 P1 Ru1 119.04(17) . . ?
C2 P1 C1 102.4(3) . . ?
C2 P1 C3 102.9(3) . . ?
C3 P1 Ru1 116.13(17) . . ?
C4 P2 Ru1 117.02(18) . . ?
C4 P2 C6 103.8(2) . . ?
C5 P2 Ru1 115.72(16) . . ?
C5 P2 C4 99.4(2) . . ?
C5 P2 C6 102.0(2) . . ?
C6 P2 Ru1 116.41(17) . . ?
C7 P3 Ru1 116.6(2) . . ?
C8 P3 Ru1 118.9(2) . . ?
C8 P3 C7 103.9(4) . . ?
C8 P3 C9 101.2(3) . . ?
C9 P3 Ru1 115.76(19) . . ?
C9 P3 C7 97.3(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 C11 C12 C13 -166.5(3) . . . . ?
C11 C12 C13 C14 -54.7(6) . . . . ?
C11 C12 C13 C22 126.0(4) . . . . ?
C12 C13 C14 C15 0.9(7) . . . . ?
C12 C13 C14 C19 -176.4(4) . . . . ?
C12 C13 C22 C21 173.9(4) . . . . ?
C12 C13 C22 C23 -7.2(5) . . . . ?
C13 C14 C15 C16 -179.5(5) . . . . ?
C13 C14 C19 C18 -179.5(5) . . . . ?
C13 C14 C19 C20 0.9(7) . . . . ?
C13 C22 C23 C24 179.1(4) . . . . ?
C14 C13 C22 C21 -5.5(6) . . . . ?
C14 C13 C22 C23 173.4(4) . . . . ?
C14 C15 C16 C17 0.6(10) . . . . ?
C14 C19 C20 C21 -2.4(7) . . . . ?
C14 C19 C20 C31 178.0(4) . . . . ?
C15 C14 C19 C18 3.1(7) . . . . ?
C15 C14 C19 C20 -176.5(4) . . . . ?
C15 C16 C17 C18 -0.1(11) . . . . ?
C16 C17 C18 C19 1.2(11) . . . . ?
C17 C18 C19 C14 -2.8(9) . . . . ?
C17 C18 C19 C20 176.9(6) . . . . ?
C18 C19 C20 C21 178.0(5) . . . . ?
C18 C19 C20 C31 -1.6(7) . . . . ?
C19 C14 C15 C16 -2.1(8) . . . . ?
C19 C20 C21 C22 -0.1(6) . . . . ?
C19 C20 C21 C26 -179.1(4) . . . . ?
C20 C21 C22 C13 4.1(6) . . . . ?
C20 C21 C22 C23 -174.9(4) . . . . ?
C20 C21 C26 C25 176.8(4) . . . . ?
C21 C22 C23 C24 -2.0(6) . . . . ?
C22 C13 C14 C15 -179.7(4) . . . . ?
C22 C13 C14 C19 2.9(6) . . . . ?
C22 C21 C26 C25 -2.3(6) . . . . ?
C22 C23 C24 C25 -2.2(6) . . . . ?
C22 C23 C24 C30 179.0(4) . . . . ?
C23 C24 C25 C26 4.1(6) . . . . ?
C23 C24 C25 C27 -177.0(4) . . . . ?
C23 C24 C30 C29 178.1(4) . . . . ?
C24 C25 C26 C21 -1.9(6) . . . . ?
C24 C25 C27 C28 -1.3(6) . . . . ?
C25 C24 C30 C29 -0.7(6) . . . . ?
C25 C27 C28 C29 -0.5(7) . . . . ?
C26 C21 C22 C13 -176.9(4) . . . . ?
C26 C21 C22 C23 4.2(5) . . . . ?
C26 C25 C27 C28 177.6(4) . . . . ?
C27 C25 C26 C21 179.2(4) . . . . ?
C27 C28 C29 C30 1.7(7) . . . . ?
C28 C29 C30 C24 -1.1(7) . . . . ?
C30 C24 C25 C26 -177.0(4) . . . . ?
C30 C24 C25 C27 1.9(6) . . . . ?
C31 C20 C21 C22 179.5(4) . . . . ?
C31 C20 C21 C26 0.5(6) . . . . ?
C33 C34 C35 C36 -178.1(10) . . . . ?
C34 C35 C36 C37 -179.4(10) . . . . ?
C35 C36 C37 C38 179.2(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_111220f_0m
_database_code_depnum_ccdc_archive 'CCDC 1992052'
_audit_update_record             
;
2020-10-21 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C21 H33.5 Cl O P3 Ru), 2(C H2 Cl2)'
_chemical_formula_sum            'C44 H72 Cl6 O2 P6 Ru2'
_chemical_formula_weight         1233.67
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   12.081(4)
_cell_length_b                   13.350(4)
_cell_length_c                   17.656(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.255(5)
_cell_angle_gamma                90
_cell_volume                     2839.7(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7192
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.79
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.905
_shelx_estimated_absorpt_T_min   0.854
_exptl_absorpt_coefficient_mu    1.016
_exptl_absorpt_correction_T_max  0.9052
_exptl_absorpt_correction_T_min  0.8543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_meas      ,
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19432
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.690
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3181
_reflns_number_total             4971
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         4.247
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.388
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4971
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.1580
_refine_ls_R_factor_gt           0.1141
_refine_ls_restrained_S_all      1.392
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3160
_refine_ls_wR_factor_ref         0.2402
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C19-C23 = C22-C28 = C23-C21 = C28-C18 = C21-C19
 2.42 with sigma of 0.01
 C19-C22 = C22-C23 = C28-C21 = C21-C18
 1.39 with sigma of 0.01
 C11-C20 = C20-C19 = C19-C18 = C18-C17 = C17-C16
 1.39 with sigma of 0.01
 C16-C18 = C17-C19 = C18-C20 = C19-C21 = C20-C16
 2.42 with sigma of 0.01
 P3-C7 = P3-C8 = P3-C9 = P3-C7' = P3-C8' = P3-C9'
 1.73 with sigma of 0.01
 C7-C8 = C7-C9 = C8-C9 = C7'-C8' = C7'-C9' = C8'-C9'
 2.75 with sigma of 0.02
 C22-C29 = C21-C31
 1.51 with sigma of 0.01
 C32-C31
 1.2 with sigma of 0.02
 C23-C29 \\sim C19-C29
 with sigma of 0.01
 C18-C31 \\sim C28-C31
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C7) \\sim Ueq, Uanis(C7') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C11) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C7) = Uanis(C7')
4. Others
 Sof(C7')=Sof(H7'A)=Sof(H7'B)=Sof(H7'C)=Sof(C8')=Sof(H8'A)=Sof(H8'B)=Sof(H8'C)=
 Sof(C9')=Sof(H9'A)=Sof(H9'B)=Sof(H9'C)=1-FVAR(1)
 Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)=
 Sof(H9A)=Sof(H9B)=Sof(H9C)=FVAR(1)
 Fixed Sof: C11(0.5) C12(0.5) H12(0.5) C13(0.5) H13(0.5) C14(0.5) H14(0.5)
 C15(0.5) H15(0.5) C16(0.5) C17(0.5) H17(0.5) C18(0.5) C19(0.5) C20(0.5)
 H20(0.5) C21(0.5) C22(0.5) C23(0.5) C24(0.5) H24(0.5) C25(0.5) H25(0.5)
 C26(0.5) H26(0.5) C27(0.5) H27(0.5) C28(0.5) C29(0.5) H29(0.5) C30(0.5)
 H30(0.5) C31(0.5) H31(0.5) C32(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B)
5.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C17(H17), C20(H20), C24(H24),
 C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31)
5.c Fitted hexagon refined as free rotating group:
 C11(C12,C13,C14,C15,C16), C23(C24,C25,C26,C27,C28)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C7'(H7'A,H7'B,H7'C), C8'(H8'A,H8'B,H8'C), C9'(H9'A,H9'B,H9'C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.74685(7) 0.66082(6) 0.27704(4) 0.0688(4) Uani 1 1 d . . . . .
C1 C 0.6070(11) 0.8064(10) 0.1316(8) 0.090(3) Uani 1 1 d . . . . .
H1A H 0.570810 0.744781 0.112377 0.135 Uiso 1 1 calc GR . . . .
H1B H 0.677228 0.815340 0.107979 0.135 Uiso 1 1 calc GR . . . .
H1C H 0.558354 0.863720 0.119193 0.135 Uiso 1 1 calc GR . . . .
C2 C 0.4941(10) 0.8038(9) 0.2626(7) 0.085(3) Uani 1 1 d . . . . .
H2A H 0.455213 0.861298 0.238531 0.127 Uiso 1 1 calc GR . . . .
H2B H 0.497248 0.811416 0.317934 0.127 Uiso 1 1 calc GR . . . .
H2C H 0.454292 0.742072 0.247875 0.127 Uiso 1 1 calc GR . . . .
C3 C 0.6837(9) 0.9249(7) 0.2518(7) 0.075(3) Uani 1 1 d . . . . .
H3A H 0.758531 0.932141 0.234659 0.112 Uiso 1 1 calc GR . . . .
H3B H 0.685545 0.937669 0.306571 0.112 Uiso 1 1 calc GR . . . .
H3C H 0.633749 0.972978 0.224860 0.112 Uiso 1 1 calc GR . . . .
C4 C 0.6805(9) 0.7974(9) 0.4406(6) 0.076(3) Uani 1 1 d . . . . .
H4A H 0.709265 0.837809 0.484099 0.113 Uiso 1 1 calc GR . . . .
H4B H 0.630880 0.745558 0.458003 0.113 Uiso 1 1 calc GR . . . .
H4C H 0.639492 0.840538 0.403454 0.113 Uiso 1 1 calc GR . . . .
C5 C 0.8493(11) 0.6621(10) 0.4793(6) 0.091(4) Uani 1 1 d . . . . .
H5A H 0.854064 0.703426 0.525353 0.136 Uiso 1 1 calc GR . . . .
H5B H 0.923256 0.636907 0.470072 0.136 Uiso 1 1 calc GR . . . .
H5C H 0.799236 0.605562 0.485957 0.136 Uiso 1 1 calc GR . . . .
C6 C 0.8947(10) 0.8402(9) 0.3991(8) 0.090(3) Uani 1 1 d . . . . .
H6A H 0.865211 0.895050 0.366685 0.135 Uiso 1 1 calc GR . . . .
H6B H 0.964244 0.815983 0.380358 0.135 Uiso 1 1 calc GR . . . .
H6C H 0.908794 0.864400 0.451325 0.135 Uiso 1 1 calc GR . . . .
C7 C 0.875(2) 0.4493(18) 0.2128(9) 0.135(8) Uani 0.606(17) 1 d D U P A 1
H7A H 0.859849 0.379139 0.224396 0.202 Uiso 0.606(17) 1 calc GR . P A 1
H7B H 0.949949 0.454850 0.194934 0.202 Uiso 0.606(17) 1 calc GR . P A 1
H7C H 0.820609 0.473395 0.173217 0.202 Uiso 0.606(17) 1 calc GR . P A 1
C8 C 1.0012(9) 0.5511(15) 0.3260(10) 0.092(6) Uani 0.606(17) 1 d D . P A 1
H8A H 1.039910 0.490591 0.344970 0.137 Uiso 0.606(17) 1 calc GR . P A 1
H8B H 1.000144 0.600409 0.367122 0.137 Uiso 0.606(17) 1 calc GR . P A 1
H8C H 1.040001 0.579461 0.284144 0.137 Uiso 0.606(17) 1 calc GR . P A 1
C9 C 0.8269(17) 0.4326(11) 0.3603(9) 0.109(8) Uani 0.606(17) 1 d D . P A 1
H9A H 0.889578 0.388257 0.374892 0.163 Uiso 0.606(17) 1 calc GR . P A 1
H9B H 0.764921 0.392806 0.337447 0.163 Uiso 0.606(17) 1 calc GR . P A 1
H9C H 0.803619 0.467115 0.405453 0.163 Uiso 0.606(17) 1 calc GR . P A 1
C10 C 0.6259(13) 0.5922(8) 0.3242(6) 0.081(3) Uani 1 1 d . . . . .
C11 C 0.3090(7) 0.6021(12) 0.0964(7) 0.058(6) Uani 0.5 1 d D U P B -1
C12 C 0.2504(10) 0.6423(11) 0.1541(6) 0.075(5) Uani 0.5 1 d G . P B -1
H12 H 0.286881 0.654420 0.202712 0.090 Uiso 0.5 1 calc R . P B -1
C13 C 0.1383(10) 0.6647(10) 0.1405(6) 0.068(5) Uani 0.5 1 d G . P B -1
H13 H 0.098210 0.692167 0.179892 0.082 Uiso 0.5 1 calc R . P B -1
C14 C 0.0849(8) 0.6469(11) 0.0693(7) 0.079(6) Uani 0.5 1 d G . P B -1
H14 H 0.008262 0.662250 0.060058 0.095 Uiso 0.5 1 calc R . P B -1
C15 C 0.1435(9) 0.6067(11) 0.0117(6) 0.056(5) Uani 0.5 1 d G . P B -1
H15 H 0.106986 0.594586 -0.036957 0.067 Uiso 0.5 1 calc R . P B -1
C16 C 0.2556(8) 0.5843(11) 0.0252(6) 0.071(5) Uani 0.5 1 d DG . P B -1
C17 C 0.3144(9) 0.5427(15) -0.0328(7) 0.045(5) Uani 0.5 1 d D . P B -1
H17 H 0.277644 0.533031 -0.081672 0.054 Uiso 0.5 1 calc R . P B -1
C18 C 0.4259(8) 0.5153(11) -0.0202(6) 0.048(4) Uani 0.5 1 d D . P B -1
C19 C 0.4806(14) 0.534(4) 0.0515(11) 0.080(9) Uani 0.5 1 d D . P B -1
C20 C 0.4219(9) 0.5764(14) 0.1087(6) 0.065(5) Uani 0.5 1 d D . P B -1
H20 H 0.459169 0.588085 0.157170 0.077 Uiso 0.5 1 calc R . P B -1
C21 C 0.4859(12) 0.467(3) -0.0754(9) 0.059(6) Uani 0.5 1 d D . P B -1
C22 C 0.5925(9) 0.5066(10) 0.0688(5) 0.046(3) Uani 0.5 1 d D . P B -1
C23 C 0.6510(8) 0.4628(11) 0.0118(5) 0.059(7) Uani 0.5 1 d D . P B -1
C24 C 0.7613(8) 0.4351(11) 0.0273(6) 0.065(5) Uani 0.5 1 d G . P B -1
H24 H 0.798263 0.450084 0.075319 0.078 Uiso 0.5 1 calc R . P B -1
C25 C 0.8175(7) 0.3856(12) -0.0275(8) 0.079(8) Uani 0.5 1 d G . P B -1
H25 H 0.892884 0.366701 -0.016941 0.095 Uiso 0.5 1 calc R . P B -1
C26 C 0.7634(9) 0.3637(12) -0.0978(7) 0.076(6) Uani 0.5 1 d G . P B -1
H26 H 0.801858 0.329882 -0.135283 0.092 Uiso 0.5 1 calc R . P B -1
C27 C 0.6532(9) 0.3914(11) -0.1133(5) 0.058(5) Uani 0.5 1 d G . P B -1
H27 H 0.616210 0.376445 -0.161365 0.070 Uiso 0.5 1 calc R . P B -1
C28 C 0.5970(7) 0.4409(11) -0.0585(5) 0.060(4) Uani 0.5 1 d DG U P B -1
C29 C 0.6466(12) 0.5274(13) 0.1480(7) 0.050(4) Uani 0.5 1 d D . P B -1
H29 H 0.626300 0.483831 0.187155 0.060 Uiso 0.5 1 calc R . P B -1
C30 C 0.713(2) 0.5930(12) 0.1670(12) 0.048(5) Uani 0.5 1 d . . P B -1
H30 H 0.755216 0.617785 0.127911 0.057 Uiso 0.5 1 calc R . P B -1
C31 C 0.4291(11) 0.4466(11) -0.1537(7) 0.054(4) Uani 0.5 1 d D . P B -1
H31 H 0.469568 0.468480 -0.194811 0.064 Uiso 0.5 1 calc R . P B -1
C32 C 0.3402(17) 0.407(2) -0.1728(16) 0.079(10) Uani 0.5 1 d D . P B -1
C33 C 0.6534(15) 0.1878(13) 0.0541(15) 0.159(9) Uani 1 1 d . . . C -1
H33A H 0.582417 0.207238 0.074506 0.191 Uiso 1 1 calc R . . C -1
H33B H 0.672070 0.240195 0.017414 0.191 Uiso 1 1 calc R . . C -1
C7' C 0.961(3) 0.519(3) 0.2222(16) 0.135(8) Uani 0.394(17) 1 d D U P A 2
H7'A H 0.920549 0.533806 0.173160 0.202 Uiso 0.394(17) 1 calc GR . P A 2
H7'B H 0.994431 0.452249 0.220167 0.202 Uiso 0.394(17) 1 calc GR . P A 2
H7'C H 1.018783 0.569086 0.233018 0.202 Uiso 0.394(17) 1 calc GR . P A 2
C8' C 0.958(3) 0.505(2) 0.3750(15) 0.15(2) Uani 0.394(17) 1 d D . P A 2
H8'A H 0.990286 0.437351 0.374628 0.221 Uiso 0.394(17) 1 calc GR . P A 2
H8'B H 0.917827 0.513343 0.420642 0.221 Uiso 0.394(17) 1 calc GR . P A 2
H8'C H 1.018068 0.554567 0.375083 0.221 Uiso 0.394(17) 1 calc GR . P A 2
C9' C 0.8048(18) 0.4041(11) 0.2832(13) 0.078(8) Uani 0.394(17) 1 d D . P A 2
H9'A H 0.755087 0.403549 0.236777 0.117 Uiso 0.394(17) 1 calc GR . P A 2
H9'B H 0.762025 0.390055 0.327070 0.117 Uiso 0.394(17) 1 calc GR . P A 2
H9'C H 0.862087 0.352651 0.279674 0.117 Uiso 0.394(17) 1 calc GR . P A 2
Cl1 Cl 0.8936(3) 0.7487(3) 0.2129(2) 0.0999(10) Uani 1 1 d . . . . .
Cl2 Cl 0.6337(9) 0.0800(5) 0.0067(4) 0.246(4) Uani 1 1 d . . . . .
Cl3 Cl 0.7554(5) 0.1875(5) 0.1282(3) 0.1527(18) Uani 1 1 d . . . . .
O1 O 0.5660(9) 0.5575(8) 0.3479(5) 0.104(3) Uani 1 1 d . . . . .
P1 P 0.6336(2) 0.79778(19) 0.23212(15) 0.0663(7) Uani 1 1 d . . . . .
P2 P 0.7949(2) 0.7390(2) 0.39708(15) 0.0701(7) Uani 1 1 d . . . . .
P3 P 0.8674(3) 0.5213(2) 0.29422(17) 0.0823(9) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C10 1.962(17) . ?
Ru1 C30 2.16(2) . ?
Ru1 Cl1 2.470(3) . ?
Ru1 P1 2.384(3) . ?
Ru1 P2 2.395(3) . ?
Ru1 P3 2.370(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 P1 1.784(14) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 P1 1.809(12) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 P1 1.826(10) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 P2 1.808(11) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 P2 1.858(12) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 P2 1.810(11) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7 P3 1.737(9) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 P3 1.719(9) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 P3 1.758(9) . ?
C10 O1 0.980(15) . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C11 C20 1.408(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C14 1.3900 . ?
C14 H14 0.9500 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C16 1.3900 . ?
C16 C17 1.404(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.398(8) . ?
C18 C19 1.406(8) . ?
C18 C21 1.412(8) . ?
C19 C20 1.394(8) . ?
C19 C22 1.413(9) . ?
C20 H20 0.9500 . ?
C21 C28 1.397(8) . ?
C21 C31 1.522(9) . ?
C22 C23 1.401(8) . ?
C22 C29 1.523(9) . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C25 H25 0.9500 . ?
C25 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C28 1.3900 . ?
C29 H29 0.9500 . ?
C29 C30 1.21(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.224(18) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 Cl2 1.67(2) . ?
C33 Cl3 1.73(2) . ?
C7' H7'A 0.9800 . ?
C7' H7'B 0.9800 . ?
C7' H7'C 0.9800 . ?
C7' P3 1.761(10) . ?
C8' H8'A 0.9800 . ?
C8' H8'B 0.9800 . ?
C8' H8'C 0.9800 . ?
C8' P3 1.749(10) . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C9' P3 1.743(9) . ?

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
C10 Ru1 C30 95.0(6) . . ?
C10 Ru1 Cl1 177.5(3) . . ?
C10 Ru1 P1 94.1(3) . . ?
C10 Ru1 P2 88.1(3) . . ?
C10 Ru1 P3 92.8(3) . . ?
C30 Ru1 Cl1 83.2(6) . . ?
C30 Ru1 P1 87.5(5) . . ?
C30 Ru1 P2 176.7(6) . . ?
C30 Ru1 P3 81.9(6) . . ?
P1 Ru1 Cl1 84.07(10) . . ?
P1 Ru1 P2 93.20(10) . . ?
P2 Ru1 Cl1 93.67(12) . . ?
P3 Ru1 Cl1 88.68(11) . . ?
P3 Ru1 P1 167.80(10) . . ?
P3 Ru1 P2 97.05(11) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P3 C7 H7A 109.5 . . ?
P3 C7 H7B 109.5 . . ?
P3 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P3 C8 H8A 109.5 . . ?
P3 C8 H8B 109.5 . . ?
P3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C9 H9A 109.5 . . ?
P3 C9 H9B 109.5 . . ?
P3 C9 H9C 109.5 . . ?
O1 C10 Ru1 179.4(14) . . ?
C12 C11 C16 120.0 . . ?
C12 C11 C20 121.5(7) . . ?
C16 C11 C20 118.5(7) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C11 C16 C17 120.1(7) . . ?
C15 C16 C11 120.0 . . ?
C15 C16 C17 119.9(7) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 C16 121.4(8) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C19 118.6(6) . . ?
C17 C18 C21 123.2(8) . . ?
C19 C18 C21 118.2(7) . . ?
C18 C19 C22 121.8(7) . . ?
C20 C19 C18 119.6(7) . . ?
C20 C19 C22 118.5(8) . . ?
C11 C20 H20 119.1 . . ?
C19 C20 C11 121.7(7) . . ?
C19 C20 H20 119.1 . . ?
C18 C21 C31 119.3(7) . . ?
C28 C21 C18 120.0(6) . . ?
C28 C21 C31 120.6(6) . . ?
C19 C22 C29 119.4(6) . . ?
C23 C22 C19 118.6(7) . . ?
C23 C22 C29 122.0(7) . . ?
C24 C23 C22 119.8(6) . . ?
C24 C23 C28 120.0 . . ?
C28 C23 C22 120.1(6) . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C23 C28 C21 121.2(6) . . ?
C27 C28 C21 118.8(6) . . ?
C27 C28 C23 120.0 . . ?
C22 C29 H29 116.1 . . ?
C30 C29 C22 127.8(17) . . ?
C30 C29 H29 116.1 . . ?
Ru1 C30 H30 115.5 . . ?
C29 C30 Ru1 129.0(15) . . ?
C29 C30 H30 115.5 . . ?
C21 C31 H31 114.5 . . ?
C32 C31 C21 131(2) . . ?
C32 C31 H31 114.5 . . ?
H33A C33 H33B 107.4 . . ?
Cl2 C33 H33A 108.2 . . ?
Cl2 C33 H33B 108.2 . . ?
Cl2 C33 Cl3 116.4(11) . . ?
Cl3 C33 H33A 108.2 . . ?
Cl3 C33 H33B 108.2 . . ?
H7'A C7' H7'B 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
P3 C7' H7'A 109.5 . . ?
P3 C7' H7'B 109.5 . . ?
P3 C7' H7'C 109.5 . . ?
H8'A C8' H8'B 109.5 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.5 . . ?
P3 C8' H8'A 109.5 . . ?
P3 C8' H8'B 109.5 . . ?
P3 C8' H8'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
P3 C9' H9'A 109.5 . . ?
P3 C9' H9'B 109.5 . . ?
P3 C9' H9'C 109.5 . . ?
C1 P1 Ru1 115.9(5) . . ?
C1 P1 C2 101.0(6) . . ?
C1 P1 C3 99.4(6) . . ?
C2 P1 Ru1 117.4(4) . . ?
C2 P1 C3 101.8(5) . . ?
C3 P1 Ru1 118.4(4) . . ?
C4 P2 Ru1 115.0(4) . . ?
C4 P2 C5 98.2(5) . . ?
C4 P2 C6 101.5(6) . . ?
C5 P2 Ru1 120.0(4) . . ?
C6 P2 Ru1 117.4(5) . . ?
C6 P2 C5 101.6(7) . . ?
C7 P3 Ru1 113.6(9) . . ?
C7 P3 C9 102.2(9) . . ?
C8 P3 Ru1 114.5(7) . . ?
C8 P3 C7 106.9(9) . . ?
C8 P3 C9 103.9(8) . . ?
C9 P3 Ru1 114.6(7) . . ?
C7' P3 Ru1 110.0(13) . . ?
C8' P3 Ru1 123.1(14) . . ?
C8' P3 C7' 101.0(11) . . ?
C9' P3 Ru1 115.7(8) . . ?
C9' P3 C7' 101.4(10) . . ?
C9' P3 C8' 102.7(10) . . ?

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 C12 C13 C14 0.0 . . . . ?
C11 C16 C17 C18 2(3) . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
C12 C11 C16 C17 -179.3(16) . . . . ?
C12 C11 C20 C19 179(3) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C14 C15 C16 C17 179.3(16) . . . . ?
C15 C16 C17 C18 -177.2(15) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
C16 C11 C20 C19 0(3) . . . . ?
C16 C17 C18 C19 -3(4) . . . . ?
C16 C17 C18 C21 176(2) . . . . ?
C17 C18 C19 C20 2(5) . . . . ?
C17 C18 C19 C22 179(3) . . . . ?
C17 C18 C21 C28 -179(3) . . . . ?
C17 C18 C21 C31 2(4) . . . . ?
C18 C19 C20 C11 -1(6) . . . . ?
C18 C19 C22 C23 3(5) . . . . ?
C18 C19 C22 C29 -179(3) . . . . ?
C18 C21 C28 C23 -1(4) . . . . ?
C18 C21 C28 C27 178(2) . . . . ?
C18 C21 C31 C32 -51(4) . . . . ?
C19 C18 C21 C28 -1(6) . . . . ?
C19 C18 C21 C31 -179.4(15) . . . . ?
C19 C22 C23 C24 180(3) . . . . ?
C19 C22 C23 C28 -5(3) . . . . ?
C19 C22 C29 C30 -104(3) . . . . ?
C20 C11 C12 C13 -178.5(17) . . . . ?
C20 C11 C16 C15 178.6(16) . . . . ?
C20 C11 C16 C17 -0.7(18) . . . . ?
C20 C19 C22 C23 179(3) . . . . ?
C20 C19 C22 C29 -2(5) . . . . ?
C21 C18 C19 C20 -176.4(18) . . . . ?
C21 C18 C19 C22 0(7) . . . . ?
C22 C19 C20 C11 -177(3) . . . . ?
C22 C23 C24 C25 175.7(16) . . . . ?
C22 C23 C28 C21 4(2) . . . . ?
C22 C23 C28 C27 -175.7(16) . . . . ?
C22 C29 C30 Ru1 155.3(11) . . . . ?
C23 C22 C29 C30 74(2) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C23 C28 C21 180(2) . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C21 -180(2) . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C28 C21 C31 C32 131(3) . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
C29 C22 C23 C24 1(2) . . . . ?
C29 C22 C23 C28 177.0(12) . . . . ?
C31 C21 C28 C23 177(2) . . . . ?
C31 C21 C28 C27 -3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
