# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_mb207r-x1smart
_database_code_depnum_ccdc_archive 'CCDC 1815069'
_audit_update_record             
;
2018-01-05 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_audit_creation_date             2016-11-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H63 Cl P5 Ru2, Cl4 Ga, C4 H10 O2'
_chemical_formula_sum            'C42 H73 Cl5 Ga O2 P5 Ru2'
_chemical_formula_weight         1213.96
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C50 H100 Ru2 P5 Cl5 Ga O2'
_chemical_oxdiff_usercomment     'frame 5 appended after user stop'
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'
Ga Ga 0.2307 1.6083 '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                   9.5596(3)
_cell_length_b                   32.7266(13)
_cell_length_c                   16.3335(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.033(3)
_cell_angle_gamma                90
_cell_volume                     5097.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4240
_cell_measurement_temperature    106.5(6)
_cell_measurement_theta_max      27.4710
_cell_measurement_theta_min      2.8340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.563
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99398
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.1060
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24113
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.786
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      106.5(6)
_diffrn_detector                 'Oxford Diffraction Sapphire 3'
_diffrn_detector_area_resol_mean 8.26
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -47.00  46.00   1.00  120.00    --  -21.63  38.00  30.00   93
  2  ω    -19.00   8.00   1.00  120.00    --  -21.63 -99.00 -90.00   27
  3  ω    -40.00   6.00   1.00  120.00    --  -21.63  19.00 -60.00   46
  4  ω     23.00  49.00   1.00  120.00    --  -21.63  19.00 -60.00   26
  5  ω     42.00  94.00   1.00  120.00    --   22.10 179.00 -90.00   52
  6  ω    -94.00 -83.00   1.00  120.00    --  -21.63 -38.00-150.00   11
;
_diffrn_measurement_device       'kappa-stage diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0340141000
_diffrn_orient_matrix_UB_12      0.0134416000
_diffrn_orient_matrix_UB_13      0.0290681000
_diffrn_orient_matrix_UB_21      0.0052737000
_diffrn_orient_matrix_UB_22      0.0149298000
_diffrn_orient_matrix_UB_23      -0.0311056000
_diffrn_orient_matrix_UB_31      -0.0659588000
_diffrn_orient_matrix_UB_32      0.0081343000
_diffrn_orient_matrix_UB_33      0.0090445000
_diffrn_radiation_monochromator  'focusing graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6914
_reflns_number_total             10407
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_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       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         10407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0519
_refine_ls_restrained_S_all      0.991
_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)+(0.0332P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1054
_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.a Ternary CH refined with riding coordinates:
 C27(H27), C33(H33), C21(H21)
2.b Secondary CH2 refined with riding coordinates:
 C34(H34a,H34b), C28(H28a,H28b), C22(H22a,H22b), C38(H38a,H38b), C32(H32a,
 H32b), C31(H31a,H31b), C37(H37a,H37b), C23(H23a,H23b), C26(H26a,H26b),
 C36(H36a,H36b), C35(H35a,H35b), C30(H30a,H30b), C25(H25a,H25b), C29(H29a,H29b),
  C24(H24a,H24b), C40(H40a,H40b), C41(H41a,H41b)
2.c Idealised Me refined as rotating group:
 C8(H8a,H8b,H8c), C10(H10a,H10b,H10c), C6(H6a,H6b,H6c), C7(H7a,H7b,H7c),
 C9(H9a,H9b,H9c), C19(H19a,H19b,H19c), C17(H17a,H17b,H17c), C20(H20a,H20b,H20c),
  C16(H16a,H16b,H16c), C18(H18a,H18b,H18c), C42(H42a,H42b,H42c), C39(H39a,H39b,
 H39c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.65299(4) 0.62114(2) 0.26949(2) 0.01455(11) Uani 1 1 d . . . . .
Ru2 Ru 0.47375(4) 0.54435(2) 0.22405(3) 0.01684(11) Uani 1 1 d . . . . .
Ga1 Ga 1.10925(6) 0.63155(2) 0.57709(4) 0.03076(17) Uani 1 1 d . . . . .
P5 P 0.61643(12) 0.68168(4) 0.17985(8) 0.0145(3) Uani 1 1 d . . . . .
P4 P 0.64447(13) 0.57999(4) 0.16187(8) 0.0182(3) Uani 1 1 d . . . . .
P2 P 0.30935(13) 0.59459(4) 0.15808(9) 0.0194(3) Uani 1 1 d . . . . .
P1 P 0.41353(13) 0.61192(4) 0.27318(8) 0.0175(3) Uani 1 1 d . . . . .
Cl1 Cl 0.81076(13) 0.55242(5) 0.11175(9) 0.0308(4) Uani 1 1 d . . . . .
Cl3 Cl 0.93653(14) 0.67452(5) 0.58525(9) 0.0322(4) Uani 1 1 d . . . . .
P3 P 0.46295(14) 0.56874(4) 0.08250(9) 0.0205(3) Uani 1 1 d . . . . .
Cl5 Cl 1.24374(15) 0.63593(5) 0.68987(9) 0.0390(4) Uani 1 1 d . . . . .
Cl4 Cl 1.22848(16) 0.64755(7) 0.47333(10) 0.0620(6) Uani 1 1 d . . . . .
Cl2 Cl 1.02398(19) 0.57018(5) 0.56057(13) 0.0607(6) Uani 1 1 d . . . . .
O2 O 0.0094(4) 0.43074(14) 0.1051(3) 0.0486(12) Uani 1 1 d . . . . .
C4 C 0.8022(5) 0.58614(16) 0.3529(3) 0.0164(11) Uani 1 1 d . . . . .
C3 C 0.8838(5) 0.61956(16) 0.3280(3) 0.0174(12) Uani 1 1 d . . . . .
C5 C 0.6918(5) 0.60283(16) 0.3995(3) 0.0191(12) Uani 1 1 d . . . . .
C2 C 0.8264(5) 0.65606(16) 0.3566(3) 0.0152(11) Uani 1 1 d . . . . .
C8 C 1.0217(5) 0.61476(16) 0.2886(3) 0.0223(13) Uani 1 1 d . . . . .
H8A H 1.0078 0.5981 0.2404 0.033 Uiso 1 1 calc GR . . . .
H8B H 1.0891 0.6020 0.3268 0.033 Uiso 1 1 calc GR . . . .
H8C H 1.0556 0.6412 0.2738 0.033 Uiso 1 1 calc GR . . . .
C27 C 0.5213(5) 0.72520(16) 0.2239(3) 0.0186(12) Uani 1 1 d . . . . .
H27 H 0.5038 0.7448 0.1790 0.022 Uiso 1 1 calc R . . . .
C33 C 0.7870(5) 0.70550(15) 0.1580(3) 0.0169(12) Uani 1 1 d . . . . .
H33 H 0.8295 0.7132 0.2121 0.020 Uiso 1 1 calc R . . . .
O1 O 0.2441(4) 0.39393(15) 0.2063(3) 0.0492(13) Uani 1 1 d . . . . .
C1 C 0.7056(5) 0.64560(16) 0.4009(3) 0.0176(12) Uani 1 1 d . . . . .
C34 C 0.7805(5) 0.74566(16) 0.1089(3) 0.0189(12) Uani 1 1 d . . . . .
H34A H 0.7494 0.7401 0.0521 0.023 Uiso 1 1 calc R . . . .
H34B H 0.7137 0.7641 0.1314 0.023 Uiso 1 1 calc R . . . .
C21 C 0.5157(5) 0.67526(16) 0.0774(3) 0.0171(12) Uani 1 1 d . . . . .
H21 H 0.4454 0.6541 0.0857 0.020 Uiso 1 1 calc R . . . .
C28 C 0.3750(5) 0.71275(16) 0.2509(3) 0.0196(12) Uani 1 1 d . . . . .
H28A H 0.3238 0.6983 0.2064 0.024 Uiso 1 1 calc R . . . .
H28B H 0.3863 0.6944 0.2976 0.024 Uiso 1 1 calc R . . . .
C22 C 0.6041(5) 0.65873(16) 0.0088(3) 0.0202(12) Uani 1 1 d . . . . .
H22A H 0.6715 0.6793 -0.0050 0.024 Uiso 1 1 calc R . . . .
H22B H 0.6559 0.6348 0.0287 0.024 Uiso 1 1 calc R . . . .
C38 C 0.8947(5) 0.67629(16) 0.1231(3) 0.0210(12) Uani 1 1 d . . . . .
H38A H 0.8992 0.6511 0.1545 0.025 Uiso 1 1 calc R . . . .
H38B H 0.8654 0.6696 0.0666 0.025 Uiso 1 1 calc R . . . .
C14 C 0.3868(5) 0.48514(16) 0.1768(3) 0.0228(13) Uani 1 1 d . . . . .
C32 C 0.5985(5) 0.74882(16) 0.2934(3) 0.0226(13) Uani 1 1 d . . . . .
H32A H 0.6162 0.7309 0.3403 0.027 Uiso 1 1 calc R . . . .
H32B H 0.6883 0.7579 0.2760 0.027 Uiso 1 1 calc R . . . .
C10 C 0.5980(5) 0.57940(16) 0.4517(3) 0.0241(13) Uani 1 1 d . . . . .
H10A H 0.5081 0.5925 0.4507 0.036 Uiso 1 1 calc GR . . . .
H10B H 0.6388 0.5785 0.5071 0.036 Uiso 1 1 calc GR . . . .
H10C H 0.5868 0.5521 0.4309 0.036 Uiso 1 1 calc GR . . . .
C6 C 0.6259(5) 0.67333(16) 0.4556(3) 0.0226(13) Uani 1 1 d . . . . .
H6A H 0.6665 0.7002 0.4561 0.034 Uiso 1 1 calc GR . . . .
H6B H 0.6312 0.6626 0.5104 0.034 Uiso 1 1 calc GR . . . .
H6C H 0.5295 0.6748 0.4349 0.034 Uiso 1 1 calc GR . . . .
C15 C 0.5186(5) 0.47677(16) 0.2199(3) 0.0239(13) Uani 1 1 d . . . . .
C7 C 0.9014(5) 0.69608(16) 0.3627(3) 0.0211(12) Uani 1 1 d . . . . .
H7A H 0.9633 0.6983 0.3191 0.032 Uiso 1 1 calc GR . . . .
H7B H 0.9548 0.6978 0.4146 0.032 Uiso 1 1 calc GR . . . .
H7C H 0.8342 0.7179 0.3583 0.032 Uiso 1 1 calc GR . . . .
C31 C 0.5160(5) 0.78543(16) 0.3189(3) 0.0228(13) Uani 1 1 d . . . . .
H31A H 0.5092 0.8050 0.2742 0.027 Uiso 1 1 calc R . . . .
H31B H 0.5661 0.7984 0.3656 0.027 Uiso 1 1 calc R . . . .
C37 C 1.0394(5) 0.69617(17) 0.1268(3) 0.0229(13) Uani 1 1 d . . . . .
H37A H 1.0720 0.7006 0.1836 0.028 Uiso 1 1 calc R . . . .
H37B H 1.1050 0.6779 0.1026 0.028 Uiso 1 1 calc R . . . .
C23 C 0.5118(5) 0.64730(17) -0.0686(3) 0.0257(13) Uani 1 1 d . . . . .
H23A H 0.5706 0.6379 -0.1108 0.031 Uiso 1 1 calc R . . . .
H23B H 0.4493 0.6252 -0.0560 0.031 Uiso 1 1 calc R . . . .
C9 C 0.8449(5) 0.54241(16) 0.3476(3) 0.0259(13) Uani 1 1 d . . . . .
H9A H 0.7710 0.5253 0.3648 0.039 Uiso 1 1 calc GR . . . .
H9B H 0.9284 0.5379 0.3826 0.039 Uiso 1 1 calc GR . . . .
H9C H 0.8629 0.5360 0.2920 0.039 Uiso 1 1 calc GR . . . .
C11 C 0.5066(5) 0.48567(16) 0.3044(3) 0.0233(13) Uani 1 1 d . . . . .
C19 C 0.3435(6) 0.47389(17) 0.0899(3) 0.0286(14) Uani 1 1 d . . . . .
H19A H 0.2749 0.4931 0.0677 0.043 Uiso 1 1 calc GR . . . .
H19B H 0.3039 0.4469 0.0884 0.043 Uiso 1 1 calc GR . . . .
H19C H 0.4239 0.4745 0.0579 0.043 Uiso 1 1 calc GR . . . .
C26 C 0.4325(5) 0.71266(15) 0.0430(3) 0.0181(12) Uani 1 1 d . . . . .
H26A H 0.3741 0.7232 0.0844 0.022 Uiso 1 1 calc R . . . .
H26B H 0.4971 0.7340 0.0292 0.022 Uiso 1 1 calc R . . . .
C17 C 0.3043(6) 0.51159(18) 0.3924(3) 0.0339(15) Uani 1 1 d . . . . .
H17A H 0.3759 0.5116 0.4367 0.051 Uiso 1 1 calc GR . . . .
H17B H 0.2353 0.4912 0.4024 0.051 Uiso 1 1 calc GR . . . .
H17C H 0.2605 0.5380 0.3885 0.051 Uiso 1 1 calc GR . . . .
C13 C 0.2948(5) 0.50093(16) 0.2346(3) 0.0204(12) Uani 1 1 d . . . . .
C20 C 0.6418(5) 0.45711(17) 0.1825(4) 0.0316(14) Uani 1 1 d . . . . .
H20A H 0.6440 0.4656 0.1263 0.047 Uiso 1 1 calc GR . . . .
H20B H 0.6326 0.4279 0.1847 0.047 Uiso 1 1 calc GR . . . .
H20C H 0.7271 0.4652 0.2126 0.047 Uiso 1 1 calc GR . . . .
C12 C 0.3690(5) 0.50213(16) 0.3133(3) 0.0233(13) Uani 1 1 d . . . . .
C36 C 1.0360(5) 0.73672(18) 0.0814(3) 0.0269(14) Uani 1 1 d . . . . .
H36A H 1.0148 0.7319 0.0232 0.032 Uiso 1 1 calc R . . . .
H36B H 1.1277 0.7494 0.0882 0.032 Uiso 1 1 calc R . . . .
C16 C 0.6027(6) 0.46876(18) 0.3733(3) 0.0342(15) Uani 1 1 d . . . . .
H16A H 0.6933 0.4635 0.3537 0.051 Uiso 1 1 calc GR . . . .
H16B H 0.5643 0.4438 0.3928 0.051 Uiso 1 1 calc GR . . . .
H16C H 0.6116 0.4882 0.4174 0.051 Uiso 1 1 calc GR . . . .
C35 C 0.9264(5) 0.76568(17) 0.1130(4) 0.0274(14) Uani 1 1 d . . . . .
H35A H 0.9224 0.7904 0.0802 0.033 Uiso 1 1 calc R . . . .
H35B H 0.9537 0.7732 0.1693 0.033 Uiso 1 1 calc R . . . .
C30 C 0.3686(5) 0.77448(18) 0.3417(3) 0.0287(14) Uani 1 1 d . . . . .
H30A H 0.3746 0.7586 0.3919 0.034 Uiso 1 1 calc R . . . .
H30B H 0.3171 0.7993 0.3516 0.034 Uiso 1 1 calc R . . . .
C25 C 0.3406(5) 0.70064(17) -0.0335(3) 0.0241(13) Uani 1 1 d . . . . .
H25A H 0.2731 0.6802 -0.0189 0.029 Uiso 1 1 calc R . . . .
H25B H 0.2889 0.7244 -0.0543 0.029 Uiso 1 1 calc R . . . .
C29 C 0.2912(5) 0.75030(16) 0.2742(3) 0.0253(14) Uani 1 1 d . . . . .
H29A H 0.2738 0.7676 0.2263 0.030 Uiso 1 1 calc R . . . .
H29B H 0.2013 0.7416 0.2921 0.030 Uiso 1 1 calc R . . . .
C18 C 0.1414(5) 0.50913(17) 0.2180(4) 0.0325(15) Uani 1 1 d . . . . .
H18A H 0.1131 0.5303 0.2539 0.049 Uiso 1 1 calc GR . . . .
H18B H 0.0894 0.4847 0.2274 0.049 Uiso 1 1 calc GR . . . .
H18C H 0.1233 0.5176 0.1620 0.049 Uiso 1 1 calc GR . . . .
C24 C 0.4260(5) 0.68377(18) -0.1002(3) 0.0279(14) Uani 1 1 d . . . . .
H24A H 0.4881 0.7048 -0.1184 0.034 Uiso 1 1 calc R . . . .
H24B H 0.3639 0.6756 -0.1468 0.034 Uiso 1 1 calc R . . . .
C40 C 0.1005(6) 0.3914(2) 0.2194(4) 0.0415(17) Uani 1 1 d . . . . .
H40A H 0.0740 0.4144 0.2524 0.050 Uiso 1 1 calc R . . . .
H40B H 0.0826 0.3665 0.2493 0.050 Uiso 1 1 calc R . . . .
C42 C -0.0755(7) 0.4319(2) 0.0303(4) 0.059(2) Uani 1 1 d . . . . .
H42A H -0.0402 0.4128 -0.0077 0.088 Uiso 1 1 calc GR . . . .
H42B H -0.0736 0.4590 0.0076 0.088 Uiso 1 1 calc GR . . . .
H42C H -0.1702 0.4249 0.0405 0.088 Uiso 1 1 calc GR . . . .
C41 C 0.0142(7) 0.39147(19) 0.1395(4) 0.0428(17) Uani 1 1 d . . . . .
H41A H 0.0543 0.3726 0.1018 0.051 Uiso 1 1 calc R . . . .
H41B H -0.0802 0.3824 0.1481 0.051 Uiso 1 1 calc R . . . .
C39 C 0.3306(7) 0.3876(2) 0.2801(4) 0.060(2) Uani 1 1 d . . . . .
H39A H 0.4271 0.3917 0.2695 0.089 Uiso 1 1 calc GR . . . .
H39B H 0.3183 0.3602 0.2993 0.089 Uiso 1 1 calc GR . . . .
H39C H 0.3047 0.4066 0.3212 0.089 Uiso 1 1 calc GR . . . .


_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 Ru2 3.1020(6) . ?
Ru1 P5 2.4736(14) . ?
Ru1 P4 2.2112(14) . ?
Ru1 P1 2.3138(13) . ?
Ru1 C4 2.220(5) . ?
Ru1 C3 2.343(5) . ?
Ru1 C5 2.213(5) . ?
Ru1 C2 2.397(5) . ?
Ru1 C1 2.313(5) . ?
Ru2 P4 2.2997(14) . ?
Ru2 P2 2.4689(14) . ?
Ru2 P1 2.4352(14) . ?
Ru2 P3 2.4413(15) . ?
Ru2 C14 2.225(5) . ?
Ru2 C15 2.255(5) . ?
Ru2 C11 2.335(5) . ?
Ru2 C13 2.240(5) . ?
Ru2 C12 2.289(5) . ?
Ga1 Cl3 2.1801(15) . ?
Ga1 Cl5 2.1757(15) . ?
Ga1 Cl4 2.1720(18) . ?
Ga1 Cl2 2.1771(19) . ?
P5 C27 1.862(5) . ?
P5 C33 1.864(5) . ?
P5 C21 1.883(5) . ?
P4 Cl1 2.0480(18) . ?
P4 P3 2.1240(19) . ?
P2 P1 2.1413(19) . ?
P2 P3 2.156(2) . ?
O2 C42 1.419(7) . ?
O2 C41 1.402(7) . ?
C4 C3 1.419(7) . ?
C4 C5 1.451(7) . ?
C4 C9 1.492(7) . ?
C3 C2 1.408(7) . ?
C3 C8 1.515(6) . ?
C5 C1 1.406(7) . ?
C5 C10 1.491(7) . ?
C2 C1 1.447(7) . ?
C2 C7 1.493(7) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C27 H27 0.9800 . ?
C27 C28 1.550(6) . ?
C27 C32 1.521(7) . ?
C33 H33 0.9800 . ?
C33 C34 1.539(7) . ?
C33 C38 1.544(7) . ?
O1 C40 1.406(6) . ?
O1 C39 1.428(7) . ?
C1 C6 1.515(7) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.538(6) . ?
C21 H21 0.9800 . ?
C21 C22 1.547(7) . ?
C21 C26 1.544(7) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.529(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.536(6) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C37 1.526(6) . ?
C14 C15 1.426(7) . ?
C14 C19 1.496(7) . ?
C14 C13 1.432(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C31 1.509(7) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C15 C11 1.423(7) . ?
C15 C20 1.509(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C30 1.524(7) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C36 1.519(7) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.518(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C11 C12 1.438(7) . ?
C11 C16 1.507(7) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C25 1.528(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 C12 1.503(7) . ?
C13 C12 1.424(7) . ?
C13 C18 1.497(6) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C35 1.530(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C29 1.508(7) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C24 1.510(7) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.495(8) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?

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
P5 Ru1 Ru2 117.04(3) . . ?
P4 Ru1 Ru2 47.75(4) . . ?
P4 Ru1 P5 91.23(5) . . ?
P4 Ru1 P1 87.72(5) . . ?
P4 Ru1 C4 99.18(14) . . ?
P4 Ru1 C3 106.98(13) . . ?
P4 Ru1 C5 126.33(14) . . ?
P4 Ru1 C2 138.36(12) . . ?
P4 Ru1 C1 160.39(13) . . ?
P1 Ru1 Ru2 50.94(4) . . ?
P1 Ru1 P5 91.20(5) . . ?
P1 Ru1 C3 153.06(13) . . ?
P1 Ru1 C2 133.69(12) . . ?
C4 Ru1 Ru2 92.81(13) . . ?
C4 Ru1 P5 146.54(13) . . ?
C4 Ru1 P1 120.73(13) . . ?
C4 Ru1 C3 36.11(17) . . ?
C4 Ru1 C2 59.62(17) . . ?
C4 Ru1 C1 61.38(18) . . ?
C3 Ru1 Ru2 124.63(13) . . ?
C3 Ru1 P5 110.43(13) . . ?
C3 Ru1 C2 34.52(16) . . ?
C5 Ru1 Ru2 93.60(14) . . ?
C5 Ru1 P5 142.38(14) . . ?
C5 Ru1 P1 92.24(13) . . ?
C5 Ru1 C4 38.23(17) . . ?
C5 Ru1 C3 60.84(18) . . ?
C5 Ru1 C2 59.82(18) . . ?
C5 Ru1 C1 36.11(18) . . ?
C2 Ru1 Ru2 151.10(12) . . ?
C2 Ru1 P5 91.86(12) . . ?
C1 Ru1 Ru2 125.64(13) . . ?
C1 Ru1 P5 106.53(13) . . ?
C1 Ru1 P1 99.89(12) . . ?
C1 Ru1 C3 59.46(17) . . ?
C1 Ru1 C2 35.73(16) . . ?
P4 Ru2 Ru1 45.38(4) . . ?
P4 Ru2 P2 85.37(5) . . ?
P4 Ru2 P1 82.91(5) . . ?
P4 Ru2 P3 53.13(5) . . ?
P4 Ru2 C11 126.43(13) . . ?
P2 Ru2 Ru1 83.62(4) . . ?
P1 Ru2 Ru1 47.54(3) . . ?
P1 Ru2 P2 51.77(5) . . ?
P1 Ru2 P3 91.14(5) . . ?
P3 Ru2 Ru1 86.99(4) . . ?
P3 Ru2 P2 52.10(5) . . ?
C14 Ru2 Ru1 167.16(14) . . ?
C14 Ru2 P4 123.22(15) . . ?
C14 Ru2 P2 102.58(14) . . ?
C14 Ru2 P1 144.49(14) . . ?
C14 Ru2 P3 88.07(14) . . ?
C14 Ru2 C15 37.10(18) . . ?
C14 Ru2 C11 60.71(19) . . ?
C14 Ru2 C13 37.41(18) . . ?
C14 Ru2 C12 61.69(19) . . ?
C15 Ru2 Ru1 134.33(13) . . ?
C15 Ru2 P4 109.99(14) . . ?
C15 Ru2 P2 139.16(14) . . ?
C15 Ru2 P1 161.89(14) . . ?
C15 Ru2 P3 106.72(14) . . ?
C15 Ru2 C11 36.07(18) . . ?
C15 Ru2 C12 61.30(19) . . ?
C11 Ru2 Ru1 118.79(13) . . ?
C11 Ru2 P2 148.15(13) . . ?
C11 Ru2 P1 125.97(14) . . ?
C11 Ru2 P3 142.78(14) . . ?
C13 Ru2 Ru1 155.16(14) . . ?
C13 Ru2 P4 157.73(14) . . ?
C13 Ru2 P2 89.42(13) . . ?
C13 Ru2 P1 110.56(14) . . ?
C13 Ru2 P3 107.39(14) . . ?
C13 Ru2 C15 61.83(18) . . ?
C13 Ru2 C11 60.53(18) . . ?
C13 Ru2 C12 36.62(18) . . ?
C12 Ru2 Ru1 126.56(14) . . ?
C12 Ru2 P4 160.56(14) . . ?
C12 Ru2 P2 112.72(14) . . ?
C12 Ru2 P1 102.37(14) . . ?
C12 Ru2 P3 144.00(14) . . ?
C12 Ru2 C11 36.23(17) . . ?
Cl5 Ga1 Cl3 108.11(6) . . ?
Cl5 Ga1 Cl2 111.07(7) . . ?
Cl4 Ga1 Cl3 109.47(7) . . ?
Cl4 Ga1 Cl5 109.48(7) . . ?
Cl4 Ga1 Cl2 109.76(9) . . ?
Cl2 Ga1 Cl3 108.91(7) . . ?
C27 P5 Ru1 115.87(18) . . ?
C27 P5 C33 102.2(2) . . ?
C27 P5 C21 101.3(2) . . ?
C33 P5 Ru1 111.06(16) . . ?
C33 P5 C21 106.0(2) . . ?
C21 P5 Ru1 118.62(17) . . ?
Ru1 P4 Ru2 86.87(5) . . ?
Cl1 P4 Ru1 126.86(7) . . ?
Cl1 P4 Ru2 123.23(8) . . ?
Cl1 P4 P3 107.66(8) . . ?
P3 P4 Ru1 125.00(7) . . ?
P3 P4 Ru2 66.85(5) . . ?
P1 P2 Ru2 63.30(5) . . ?
P1 P2 P3 108.25(8) . . ?
P3 P2 Ru2 63.29(5) . . ?
Ru1 P1 Ru2 81.52(4) . . ?
P2 P1 Ru1 114.30(7) . . ?
P2 P1 Ru2 64.92(5) . . ?
P4 P3 Ru2 60.02(5) . . ?
P4 P3 P2 98.20(8) . . ?
P2 P3 Ru2 64.61(5) . . ?
C41 O2 C42 111.8(5) . . ?
C3 C4 Ru1 76.7(3) . . ?
C3 C4 C5 107.1(5) . . ?
C3 C4 C9 124.4(4) . . ?
C5 C4 Ru1 70.6(3) . . ?
C5 C4 C9 127.1(5) . . ?
C9 C4 Ru1 128.8(4) . . ?
C4 C3 Ru1 67.2(3) . . ?
C4 C3 C8 123.6(5) . . ?
C2 C3 Ru1 74.8(3) . . ?
C2 C3 C4 108.9(4) . . ?
C2 C3 C8 126.9(5) . . ?
C8 C3 Ru1 130.6(3) . . ?
C4 C5 Ru1 71.2(3) . . ?
C4 C5 C10 126.5(5) . . ?
C1 C5 Ru1 75.8(3) . . ?
C1 C5 C4 108.2(4) . . ?
C1 C5 C10 124.2(5) . . ?
C10 C5 Ru1 128.4(4) . . ?
C3 C2 Ru1 70.6(3) . . ?
C3 C2 C1 108.0(4) . . ?
C3 C2 C7 124.8(4) . . ?
C1 C2 Ru1 69.0(3) . . ?
C1 C2 C7 124.8(4) . . ?
C7 C2 Ru1 140.1(3) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P5 C27 H27 105.9 . . ?
C28 C27 P5 112.6(3) . . ?
C28 C27 H27 105.9 . . ?
C32 C27 P5 117.0(3) . . ?
C32 C27 H27 105.9 . . ?
C32 C27 C28 108.7(4) . . ?
P5 C33 H33 104.4 . . ?
C34 C33 P5 117.0(3) . . ?
C34 C33 H33 104.4 . . ?
C34 C33 C38 109.9(4) . . ?
C38 C33 P5 115.3(3) . . ?
C38 C33 H33 104.4 . . ?
C40 O1 C39 112.1(5) . . ?
C5 C1 Ru1 68.0(3) . . ?
C5 C1 C2 107.7(4) . . ?
C5 C1 C6 123.8(5) . . ?
C2 C1 Ru1 75.3(3) . . ?
C2 C1 C6 127.3(5) . . ?
C6 C1 Ru1 132.0(3) . . ?
C33 C34 H34A 109.7 . . ?
C33 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
C35 C34 C33 109.8(4) . . ?
C35 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
P5 C21 H21 105.6 . . ?
C22 C21 P5 114.3(3) . . ?
C22 C21 H21 105.6 . . ?
C26 C21 P5 117.0(3) . . ?
C26 C21 H21 105.6 . . ?
C26 C21 C22 107.9(4) . . ?
C27 C28 H28A 109.4 . . ?
C27 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C29 C28 C27 111.0(4) . . ?
C29 C28 H28A 109.4 . . ?
C29 C28 H28B 109.4 . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C21 111.7(4) . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C33 C38 H38A 109.6 . . ?
C33 C38 H38B 109.6 . . ?
H38A C38 H38B 108.1 . . ?
C37 C38 C33 110.4(4) . . ?
C37 C38 H38A 109.6 . . ?
C37 C38 H38B 109.6 . . ?
C15 C14 Ru2 72.6(3) . . ?
C15 C14 C19 126.7(5) . . ?
C15 C14 C13 107.8(5) . . ?
C19 C14 Ru2 128.0(4) . . ?
C13 C14 Ru2 71.9(3) . . ?
C13 C14 C19 124.9(5) . . ?
C27 C32 H32A 109.2 . . ?
C27 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C31 C32 C27 112.0(4) . . ?
C31 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C14 C15 Ru2 70.3(3) . . ?
C14 C15 C20 124.7(5) . . ?
C11 C15 Ru2 75.0(3) . . ?
C11 C15 C14 108.1(5) . . ?
C11 C15 C20 126.8(5) . . ?
C20 C15 Ru2 125.9(4) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C32 C31 H31A 109.0 . . ?
C32 C31 H31B 109.0 . . ?
C32 C31 C30 113.0(5) . . ?
H31A C31 H31B 107.8 . . ?
C30 C31 H31A 109.0 . . ?
C30 C31 H31B 109.0 . . ?
C38 C37 H37A 109.3 . . ?
C38 C37 H37B 109.3 . . ?
H37A C37 H37B 108.0 . . ?
C36 C37 C38 111.4(4) . . ?
C36 C37 H37A 109.3 . . ?
C36 C37 H37B 109.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 C22 110.7(4) . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C11 Ru2 68.9(3) . . ?
C15 C11 C12 108.1(5) . . ?
C15 C11 C16 124.3(5) . . ?
C12 C11 Ru2 70.2(3) . . ?
C12 C11 C16 125.2(5) . . ?
C16 C11 Ru2 140.6(4) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C26 H26A 109.6 . . ?
C21 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
C25 C26 C21 110.2(4) . . ?
C25 C26 H26A 109.6 . . ?
C25 C26 H26B 109.6 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
C14 C13 Ru2 70.7(3) . . ?
C14 C13 C18 125.8(5) . . ?
C12 C13 Ru2 73.6(3) . . ?
C12 C13 C14 108.3(4) . . ?
C12 C13 C18 125.4(5) . . ?
C18 C13 Ru2 128.0(4) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C12 Ru2 73.6(3) . . ?
C11 C12 C17 126.7(5) . . ?
C17 C12 Ru2 130.4(4) . . ?
C13 C12 Ru2 69.8(3) . . ?
C13 C12 C11 107.5(5) . . ?
C13 C12 C17 124.9(5) . . ?
C37 C36 H36A 109.3 . . ?
C37 C36 H36B 109.3 . . ?
C37 C36 C35 111.6(4) . . ?
H36A C36 H36B 108.0 . . ?
C35 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C34 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
C36 C35 C34 111.2(5) . . ?
C36 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C31 C30 H30A 109.4 . . ?
C31 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C29 C30 C31 111.1(4) . . ?
C29 C30 H30A 109.4 . . ?
C29 C30 H30B 109.4 . . ?
C26 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C24 C25 C26 112.0(4) . . ?
C24 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
C28 C29 H29A 109.4 . . ?
C28 C29 H29B 109.4 . . ?
C30 C29 C28 111.4(4) . . ?
C30 C29 H29A 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C23 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C25 C24 C23 110.4(5) . . ?
C25 C24 H24A 109.6 . . ?
C25 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
O1 C40 H40A 109.5 . . ?
O1 C40 H40B 109.5 . . ?
O1 C40 C41 110.6(5) . . ?
H40A C40 H40B 108.1 . . ?
C41 C40 H40A 109.5 . . ?
C41 C40 H40B 109.5 . . ?
O2 C42 H42A 109.5 . . ?
O2 C42 H42B 109.5 . . ?
O2 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O2 C41 C40 110.6(5) . . ?
O2 C41 H41A 109.5 . . ?
O2 C41 H41B 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
O1 C39 H39A 109.5 . . ?
O1 C39 H39B 109.5 . . ?
O1 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.029
_oxdiff_exptl_absorpt_empirical_full_min 0.982
####################################################################### 
# 
# 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_mb175smart
_database_code_depnum_ccdc_archive 'CCDC 1815072'
_audit_update_record             
;
2018-01-05 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_audit_creation_date             2016-11-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H96 P8 Ru4, 2(C4 H8 O)'
_chemical_formula_sum            'C64 H112 O2 P8 Ru4'
_chemical_formula_weight         1565.57
_chemical_melting_point          ?
_chemical_oxdiff_formula         C32H56OP4Ru2
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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9212(3)
_cell_length_b                   12.4576(3)
_cell_length_c                   13.0288(3)
_cell_angle_alpha                112.290(2)
_cell_angle_beta                 107.073(2)
_cell_angle_gamma                90.803(2)
_cell_volume                     1694.14(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9724
_cell_measurement_temperature    104(2)
_cell_measurement_theta_max      32.1380
_cell_measurement_theta_min      3.2730
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.104
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22671
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.872
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      104(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0839
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00  43.00   1.00   50.00    --   26.86 -57.00 -60.00   83
  2  ω     20.00  69.00   1.00   50.00    --   26.86 -99.00  60.00   49
  3  ω      8.00  94.00   1.00   50.00    --   26.86  57.00-180.00   86
  4  ω     -9.00  69.00   1.00   50.00    --   26.86 -99.00 -90.00   78
  5  ω     42.00  69.00   1.00   50.00    --   26.86 -99.00-180.00   27
  6  ω    -16.00 100.00   1.00   50.00    --   26.86  19.00 120.00  116
  7  ω    -52.00 -25.00   1.00   50.00    --  -26.23  38.00  90.00   27
  8  ω    -42.00  48.00   1.00   50.00    --   26.86 -57.00 150.00   90
  9  ω      6.00  96.00   1.00   50.00    --   26.86  57.00 -60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0377832000
_diffrn_orient_matrix_UB_12      -0.0536278000
_diffrn_orient_matrix_UB_13      -0.0376701000
_diffrn_orient_matrix_UB_21      0.0278729000
_diffrn_orient_matrix_UB_22      -0.0067478000
_diffrn_orient_matrix_UB_23      -0.0428404000
_diffrn_orient_matrix_UB_31      0.0418215000
_diffrn_orient_matrix_UB_32      -0.0307043000
_diffrn_orient_matrix_UB_33      0.0247184000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6964
_reflns_number_total             8394
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.185
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         8394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.035
_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)+(0.0300P)²+1.7334P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0766
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C21(H21a,H21b), C25(H25a,H25b), C26(H26a,H26b), C22(H22a,H22b), C23(H23a,
 H23b), C27(H27a,H27b), C31(H31a,H31b), C32(H32a,H32b), C29(H29a,H29b),
 C30(H30a,H30b)
2.b Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C17(H17a,H17b,H17c), C16(H16a,H16b,H16c),
 C18(H18a,H18b,H18c), C9(H9a,H9b,H9c), C8(H8a,H8b,H8c), C19(H19a,H19b,H19c),
 C20(H20a,H20b,H20c), C10(H10a,H10b,H10c), C28(H28a,H28b,H28c), C24(H24a,H24b,
 H24c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.51376(2) 0.82311(2) 0.51367(2) 0.01169(6) Uani 1 1 d . . . . .
Ru2 Ru 0.33496(2) 0.83109(2) 0.22309(2) 0.01262(6) Uani 1 1 d . . . . .
P1 P 0.52648(6) 0.84940(6) 0.34931(6) 0.01193(14) Uani 1 1 d . . . . .
P3 P 0.31926(6) 1.01949(6) 0.37821(6) 0.01300(14) Uani 1 1 d . . . . .
P4 P 0.33377(6) 0.86324(6) 0.41110(6) 0.01267(14) Uani 1 1 d . . . . .
P2 P 0.49202(6) 1.00533(6) 0.31860(6) 0.01283(14) Uani 1 1 d . . . . .
C2 C 0.6317(3) 0.6845(2) 0.5204(3) 0.0166(6) Uani 1 1 d . . . . .
C11 C 0.2933(3) 0.8060(3) 0.0325(2) 0.0189(6) Uani 1 1 d . . . . .
C21 C 0.6489(2) 0.7942(2) 0.2927(2) 0.0153(5) Uani 1 1 d . . . . .
H21A H 0.7231 0.8240 0.3569 0.018 Uiso 1 1 calc R . . . .
H21B H 0.6384 0.7095 0.2644 0.018 Uiso 1 1 calc R . . . .
C25 C 0.1893(2) 0.8335(3) 0.4286(3) 0.0173(6) Uani 1 1 d . . . . .
H25A H 0.1284 0.8548 0.3745 0.021 Uiso 1 1 calc R . . . .
H25B H 0.1718 0.7499 0.4060 0.021 Uiso 1 1 calc R . . . .
C14 C 0.2343(3) 0.6622(3) 0.0853(2) 0.0186(6) Uani 1 1 d . . . . .
C1 C 0.5207(3) 0.6282(2) 0.4302(3) 0.0172(6) Uani 1 1 d . . . . .
C13 C 0.1550(2) 0.7480(3) 0.1008(2) 0.0182(6) Uani 1 1 d . . . . .
C3 C 0.6078(3) 0.7322(3) 0.6292(3) 0.0182(6) Uani 1 1 d . . . . .
C4 C 0.4836(3) 0.7066(3) 0.6070(3) 0.0201(6) Uani 1 1 d . . . . .
C15 C 0.3196(2) 0.6986(3) 0.0426(2) 0.0186(6) Uani 1 1 d . . . . .
C12 C 0.1910(2) 0.8358(3) 0.0675(2) 0.0190(6) Uani 1 1 d . . . . .
C6 C 0.5001(3) 0.5538(3) 0.3032(3) 0.0234(7) Uani 1 1 d . . . . .
H6A H 0.4595 0.5941 0.2564 0.035 Uiso 1 1 calc GR . . . .
H6B H 0.4527 0.4808 0.2811 0.035 Uiso 1 1 calc GR . . . .
H6C H 0.5748 0.5391 0.2907 0.035 Uiso 1 1 calc GR . . . .
C26 C 0.1812(3) 0.8967(3) 0.5505(3) 0.0200(6) Uani 1 1 d . . . . .
H26A H 0.1977 0.9806 0.5736 0.024 Uiso 1 1 calc R . . . .
H26B H 0.2414 0.8755 0.6052 0.024 Uiso 1 1 calc R . . . .
C7 C 0.7525(3) 0.6825(3) 0.5084(3) 0.0227(6) Uani 1 1 d . . . . .
H7A H 0.7456 0.6536 0.4269 0.034 Uiso 1 1 calc GR . . . .
H7B H 0.7941 0.6322 0.5421 0.034 Uiso 1 1 calc GR . . . .
H7C H 0.7954 0.7604 0.5484 0.034 Uiso 1 1 calc GR . . . .
C5 C 0.4309(3) 0.6416(2) 0.4838(3) 0.0193(6) Uani 1 1 d . . . . .
C22 C 0.6585(2) 0.8279(2) 0.1940(2) 0.0160(6) Uani 1 1 d . . . . .
H22A H 0.5795 0.8207 0.1409 0.019 Uiso 1 1 calc R . . . .
H22B H 0.6938 0.9093 0.2272 0.019 Uiso 1 1 calc R . . . .
C17 C 0.1223(3) 0.9331(3) 0.0566(3) 0.0272(7) Uani 1 1 d . . . . .
H17A H 0.0992 0.9698 0.1252 0.041 Uiso 1 1 calc GR . . . .
H17B H 0.0528 0.9018 -0.0114 0.041 Uiso 1 1 calc GR . . . .
H17C H 0.1709 0.9900 0.0491 0.041 Uiso 1 1 calc GR . . . .
C23 C 0.7320(3) 0.7524(3) 0.1251(3) 0.0211(6) Uani 1 1 d . . . . .
H23A H 0.6985 0.6707 0.0941 0.025 Uiso 1 1 calc R . . . .
H23B H 0.8121 0.7621 0.1772 0.025 Uiso 1 1 calc R . . . .
C16 C 0.3559(3) 0.8726(3) -0.0153(3) 0.0258(7) Uani 1 1 d . . . . .
H16A H 0.3610 0.9553 0.0285 0.039 Uiso 1 1 calc GR . . . .
H16B H 0.3122 0.8529 -0.0963 0.039 Uiso 1 1 calc GR . . . .
H16C H 0.4342 0.8520 -0.0085 0.039 Uiso 1 1 calc GR . . . .
C18 C 0.0425(3) 0.7367(3) 0.1274(3) 0.0263(7) Uani 1 1 d . . . . .
H18A H 0.0514 0.6925 0.1751 0.039 Uiso 1 1 calc GR . . . .
H18B H -0.0214 0.6970 0.0555 0.039 Uiso 1 1 calc GR . . . .
H18C H 0.0253 0.8132 0.1687 0.039 Uiso 1 1 calc GR . . . .
C9 C 0.4244(3) 0.7351(3) 0.6988(3) 0.0280(7) Uani 1 1 d . . . . .
H9A H 0.4448 0.8171 0.7488 0.042 Uiso 1 1 calc GR . . . .
H9B H 0.4504 0.6899 0.7446 0.042 Uiso 1 1 calc GR . . . .
H9C H 0.3400 0.7167 0.6619 0.042 Uiso 1 1 calc GR . . . .
C8 C 0.6994(3) 0.7901(3) 0.7481(3) 0.0259(7) Uani 1 1 d . . . . .
H8A H 0.7674 0.8258 0.7417 0.039 Uiso 1 1 calc GR . . . .
H8B H 0.7224 0.7325 0.7796 0.039 Uiso 1 1 calc GR . . . .
H8C H 0.6668 0.8490 0.7992 0.039 Uiso 1 1 calc GR . . . .
C19 C 0.2117(3) 0.5424(3) 0.0840(3) 0.0274(7) Uani 1 1 d . . . . .
H19A H 0.2854 0.5123 0.1012 0.041 Uiso 1 1 calc GR . . . .
H19B H 0.1600 0.4907 0.0080 0.041 Uiso 1 1 calc GR . . . .
H19C H 0.1751 0.5478 0.1420 0.041 Uiso 1 1 calc GR . . . .
C20 C 0.4080(3) 0.6241(3) 0.0000(3) 0.0256(7) Uani 1 1 d . . . . .
H20A H 0.4605 0.6687 -0.0175 0.038 Uiso 1 1 calc GR . . . .
H20B H 0.3669 0.5562 -0.0694 0.038 Uiso 1 1 calc GR . . . .
H20C H 0.4530 0.6000 0.0598 0.038 Uiso 1 1 calc GR . . . .
C27 C 0.0603(3) 0.8686(3) 0.5593(3) 0.0281(7) Uani 1 1 d . . . . .
H27A H 0.0465 0.7859 0.5430 0.034 Uiso 1 1 calc R . . . .
H27B H -0.0008 0.8836 0.5003 0.034 Uiso 1 1 calc R . . . .
C10 C 0.3062(3) 0.5800(3) 0.4201(3) 0.0288(7) Uani 1 1 d . . . . .
H10A H 0.2574 0.6121 0.4682 0.043 Uiso 1 1 calc GR . . . .
H10B H 0.3052 0.4979 0.4031 0.043 Uiso 1 1 calc GR . . . .
H10C H 0.2762 0.5906 0.3482 0.043 Uiso 1 1 calc GR . . . .
O1 O 0.0185(3) 0.5208(3) 0.2671(4) 0.0805(12) Uani 1 1 d . . . . .
C28 C 0.0503(3) 0.9407(3) 0.6799(3) 0.0369(9) Uani 1 1 d . . . . .
H28A H -0.0270 0.9200 0.6812 0.055 Uiso 1 1 calc GR . . . .
H28B H 0.0622 1.0226 0.6959 0.055 Uiso 1 1 calc GR . . . .
H28C H 0.1095 0.9249 0.7386 0.055 Uiso 1 1 calc GR . . . .
C24 C 0.7361(3) 0.7844(3) 0.0245(3) 0.0306(8) Uani 1 1 d . . . . .
H24A H 0.6568 0.7804 -0.0242 0.046 Uiso 1 1 calc GR . . . .
H24B H 0.7771 0.7304 -0.0212 0.046 Uiso 1 1 calc GR . . . .
H24C H 0.7771 0.8625 0.0553 0.046 Uiso 1 1 calc GR . . . .
C31 C -0.0595(4) 0.3460(4) 0.2646(4) 0.0453(10) Uani 1 1 d . . . . .
H31A H -0.1090 0.2744 0.2045 0.054 Uiso 1 1 calc R . . . .
H31B H -0.0098 0.3291 0.3288 0.054 Uiso 1 1 calc R . . . .
C32 C 0.0138(4) 0.4003(4) 0.2160(4) 0.0525(11) Uani 1 1 d . . . . .
H32A H 0.0932 0.3793 0.2333 0.063 Uiso 1 1 calc R . . . .
H32B H -0.0215 0.3720 0.1316 0.063 Uiso 1 1 calc R . . . .
C29 C -0.0864(5) 0.5404(4) 0.2835(5) 0.0668(15) Uani 1 1 d . . . . .
H29A H -0.1422 0.5452 0.2147 0.080 Uiso 1 1 calc R . . . .
H29B H -0.0775 0.6137 0.3502 0.080 Uiso 1 1 calc R . . . .
C30 C -0.1315(7) 0.4379(6) 0.3056(8) 0.118(3) Uani 1 1 d . . . . .
H30A H -0.1200 0.4606 0.3883 0.142 Uiso 1 1 calc R . . . .
H30B H -0.2150 0.4112 0.2618 0.142 Uiso 1 1 calc R . . . .


_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 P1 2.3319(7) . ?
Ru1 P3 2.4373(7) 2_676 ?
Ru1 P4 2.3437(7) . ?
Ru1 P2 2.4284(8) 2_676 ?
Ru1 C2 2.253(3) . ?
Ru1 C1 2.268(3) . ?
Ru1 C3 2.267(3) . ?
Ru1 C4 2.301(3) . ?
Ru1 C5 2.298(3) . ?
Ru2 P1 2.3378(7) . ?
Ru2 P3 2.5028(8) . ?
Ru2 P4 2.3317(7) . ?
Ru2 P2 2.4969(7) . ?
Ru2 C11 2.279(3) . ?
Ru2 C14 2.211(3) . ?
Ru2 C13 2.212(3) . ?
Ru2 C15 2.255(3) . ?
Ru2 C12 2.260(3) . ?
P1 P4 2.6357(10) . ?
P1 P2 2.1489(10) . ?
P1 C21 1.850(3) . ?
P3 Ru1 2.4373(7) 2_676 ?
P3 P4 2.1449(10) . ?
P3 P2 2.3918(10) . ?
P4 C25 1.853(3) . ?
P2 Ru1 2.4284(8) 2_676 ?
C2 C1 1.435(4) . ?
C2 C3 1.430(4) . ?
C2 C7 1.492(4) . ?
C11 C15 1.424(4) . ?
C11 C12 1.430(4) . ?
C11 C16 1.510(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.528(4) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.515(4) . ?
C14 C13 1.433(4) . ?
C14 C15 1.434(4) . ?
C14 C19 1.506(4) . ?
C1 C6 1.499(4) . ?
C1 C5 1.420(4) . ?
C13 C12 1.423(4) . ?
C13 C18 1.498(4) . ?
C3 C4 1.430(4) . ?
C3 C8 1.500(4) . ?
C4 C5 1.426(4) . ?
C4 C9 1.495(4) . ?
C15 C20 1.503(4) . ?
C12 C17 1.500(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C27 1.525(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C5 C10 1.499(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.517(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.521(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.528(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
O1 C32 1.384(5) . ?
O1 C29 1.340(6) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.502(6) . ?
C31 C30 1.471(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.534(7) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?

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
P1 Ru1 P3 84.74(2) . 2_676 ?
P1 Ru1 P4 68.63(2) . . ?
P1 Ru1 P2 118.14(2) . 2_676 ?
P4 Ru1 P3 118.58(2) . 2_676 ?
P4 Ru1 P2 86.18(3) . 2_676 ?
P2 Ru1 P3 58.89(2) 2_676 2_676 ?
C2 Ru1 P1 101.81(7) . . ?
C2 Ru1 P3 92.40(8) . 2_676 ?
C2 Ru1 P4 145.34(8) . . ?
C2 Ru1 P2 125.53(8) . 2_676 ?
C2 Ru1 C1 37.02(10) . . ?
C2 Ru1 C3 36.88(10) . . ?
C2 Ru1 C4 61.44(10) . . ?
C2 Ru1 C5 61.03(10) . . ?
C1 Ru1 P1 92.01(7) . . ?
C1 Ru1 P3 127.38(8) . 2_676 ?
C1 Ru1 P4 108.53(7) . . ?
C1 Ru1 P2 149.78(7) . 2_676 ?
C1 Ru1 C4 60.89(11) . . ?
C1 Ru1 C5 36.24(10) . . ?
C3 Ru1 P1 137.44(8) . . ?
C3 Ru1 P3 87.15(8) . 2_676 ?
C3 Ru1 P4 147.80(8) . . ?
C3 Ru1 P2 92.23(8) . 2_676 ?
C3 Ru1 C1 61.09(10) . . ?
C3 Ru1 C4 36.47(10) . . ?
C3 Ru1 C5 60.39(10) . . ?
C4 Ru1 P1 152.03(8) . . ?
C4 Ru1 P3 116.36(8) . 2_676 ?
C4 Ru1 P4 111.32(8) . . ?
C4 Ru1 P2 89.37(8) . 2_676 ?
C5 Ru1 P1 117.07(8) . . ?
C5 Ru1 P3 147.49(7) . 2_676 ?
C5 Ru1 P4 92.74(7) . . ?
C5 Ru1 P2 119.78(8) . 2_676 ?
C5 Ru1 C4 36.12(11) . . ?
P1 Ru2 P3 85.55(2) . . ?
P1 Ru2 P2 52.65(2) . . ?
P4 Ru2 P1 68.73(2) . . ?
P4 Ru2 P3 52.53(2) . . ?
P4 Ru2 P2 86.71(2) . . ?
P2 Ru2 P3 57.16(2) . . ?
C11 Ru2 P1 123.80(8) . . ?
C11 Ru2 P3 122.15(8) . . ?
C11 Ru2 P4 167.29(8) . . ?
C11 Ru2 P2 99.48(8) . . ?
C14 Ru2 P1 123.45(8) . . ?
C14 Ru2 P3 144.12(8) . . ?
C14 Ru2 P4 114.45(8) . . ?
C14 Ru2 P2 156.41(8) . . ?
C14 Ru2 C11 62.07(11) . . ?
C14 Ru2 C13 37.82(11) . . ?
C14 Ru2 C15 37.46(10) . . ?
C14 Ru2 C12 62.22(11) . . ?
C13 Ru2 P1 158.99(8) . . ?
C13 Ru2 P3 108.79(8) . . ?
C13 Ru2 P4 107.32(8) . . ?
C13 Ru2 P2 148.20(8) . . ?
C13 Ru2 C11 61.97(11) . . ?
C13 Ru2 C15 62.42(11) . . ?
C13 Ru2 C12 37.08(11) . . ?
C15 Ru2 P1 108.95(8) . . ?
C15 Ru2 P3 158.59(8) . . ?
C15 Ru2 P4 146.92(8) . . ?
C15 Ru2 P2 119.01(8) . . ?
C15 Ru2 C11 36.62(11) . . ?
C15 Ru2 C12 61.46(11) . . ?
C12 Ru2 P1 158.29(8) . . ?
C12 Ru2 P3 99.31(8) . . ?
C12 Ru2 P4 130.58(8) . . ?
C12 Ru2 P2 112.68(8) . . ?
C12 Ru2 C11 36.72(10) . . ?
Ru1 P1 Ru2 108.93(3) . . ?
Ru1 P1 P4 55.90(2) . . ?
Ru2 P1 P4 55.53(2) . . ?
P2 P1 Ru1 124.18(4) . . ?
P2 P1 Ru2 67.48(3) . . ?
P2 P1 P4 87.16(3) . . ?
C21 P1 Ru1 118.45(9) . . ?
C21 P1 Ru2 121.53(9) . . ?
C21 P1 P4 163.51(9) . . ?
C21 P1 P2 106.98(9) . . ?
Ru1 P3 Ru2 121.15(3) 2_676 . ?
P4 P3 Ru1 117.57(3) . 2_676 ?
P4 P3 Ru2 59.63(3) . . ?
P4 P3 P2 93.81(4) . . ?
P2 P3 Ru1 60.37(2) . 2_676 ?
P2 P3 Ru2 61.30(2) . . ?
Ru1 P4 P1 55.47(2) . . ?
Ru2 P4 Ru1 108.73(3) . . ?
Ru2 P4 P1 55.75(2) . . ?
P3 P4 Ru1 122.58(4) . . ?
P3 P4 Ru2 67.84(3) . . ?
P3 P4 P1 86.32(3) . . ?
C25 P4 Ru1 124.26(9) . . ?
C25 P4 Ru2 117.47(9) . . ?
C25 P4 P1 165.51(10) . . ?
C25 P4 P3 103.20(10) . . ?
Ru1 P2 Ru2 121.76(3) 2_676 . ?
P1 P2 Ru1 116.03(3) . 2_676 ?
P1 P2 Ru2 59.87(3) . . ?
P1 P2 P3 92.69(3) . . ?
P3 P2 Ru1 60.74(3) . 2_676 ?
P3 P2 Ru2 61.54(2) . . ?
C1 C2 Ru1 72.03(16) . . ?
C1 C2 C7 127.6(3) . . ?
C3 C2 Ru1 72.09(16) . . ?
C3 C2 C1 107.1(3) . . ?
C3 C2 C7 124.9(3) . . ?
C7 C2 Ru1 126.80(19) . . ?
C15 C11 Ru2 70.77(16) . . ?
C15 C11 C12 107.9(3) . . ?
C15 C11 C16 126.4(3) . . ?
C12 C11 Ru2 70.94(16) . . ?
C12 C11 C16 125.5(3) . . ?
C16 C11 Ru2 127.3(2) . . ?
P1 C21 H21A 108.6 . . ?
P1 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 P1 114.60(19) . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
P4 C25 H25A 108.3 . . ?
P4 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C26 C25 P4 115.8(2) . . ?
C26 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
C13 C14 Ru2 71.14(16) . . ?
C13 C14 C15 107.6(3) . . ?
C13 C14 C19 124.6(3) . . ?
C15 C14 Ru2 72.93(16) . . ?
C15 C14 C19 126.0(3) . . ?
C19 C14 Ru2 133.3(2) . . ?
C2 C1 Ru1 70.95(16) . . ?
C2 C1 C6 127.8(3) . . ?
C6 C1 Ru1 127.64(19) . . ?
C5 C1 Ru1 73.06(16) . . ?
C5 C1 C2 108.1(3) . . ?
C5 C1 C6 123.7(3) . . ?
C14 C13 Ru2 71.04(16) . . ?
C14 C13 C18 125.7(3) . . ?
C12 C13 Ru2 73.31(16) . . ?
C12 C13 C14 108.0(3) . . ?
C12 C13 C18 125.6(3) . . ?
C18 C13 Ru2 129.1(2) . . ?
C2 C3 Ru1 71.02(15) . . ?
C2 C3 C8 125.5(3) . . ?
C4 C3 Ru1 73.04(15) . . ?
C4 C3 C2 108.9(3) . . ?
C4 C3 C8 125.4(3) . . ?
C8 C3 Ru1 126.2(2) . . ?
C3 C4 Ru1 70.49(15) . . ?
C3 C4 C9 125.3(3) . . ?
C5 C4 Ru1 71.84(15) . . ?
C5 C4 C3 107.1(3) . . ?
C5 C4 C9 127.5(3) . . ?
C9 C4 Ru1 126.6(2) . . ?
C11 C15 Ru2 72.61(16) . . ?
C11 C15 C14 108.2(3) . . ?
C11 C15 C20 127.3(3) . . ?
C14 C15 Ru2 69.61(16) . . ?
C14 C15 C20 123.9(3) . . ?
C20 C15 Ru2 130.2(2) . . ?
C11 C12 Ru2 72.34(15) . . ?
C11 C12 C17 126.6(3) . . ?
C13 C12 Ru2 69.61(15) . . ?
C13 C12 C11 108.3(3) . . ?
C13 C12 C17 124.6(3) . . ?
C17 C12 Ru2 129.8(2) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C25 C26 H26A 108.9 . . ?
C25 C26 H26B 108.9 . . ?
C25 C26 C27 113.3(2) . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 H26A 108.9 . . ?
C27 C26 H26B 108.9 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C1 C5 Ru1 70.70(16) . . ?
C1 C5 C4 108.9(3) . . ?
C1 C5 C10 123.5(3) . . ?
C4 C5 Ru1 72.04(16) . . ?
C4 C5 C10 127.0(3) . . ?
C10 C5 Ru1 130.4(2) . . ?
C21 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C23 C22 C21 112.8(2) . . ?
C23 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
C22 C23 C24 111.8(2) . . ?
H23A C23 H23B 107.9 . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
C26 C27 C28 112.5(3) . . ?
H27A C27 H27B 107.8 . . ?
C28 C27 H27A 109.1 . . ?
C28 C27 H27B 109.1 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C29 O1 C32 106.4(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H31A C31 H31B 109.2 . . ?
C32 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
C30 C31 H31A 111.3 . . ?
C30 C31 H31B 111.3 . . ?
C30 C31 C32 102.5(4) . . ?
O1 C32 C31 108.3(4) . . ?
O1 C32 H32A 110.0 . . ?
O1 C32 H32B 110.0 . . ?
C31 C32 H32A 110.0 . . ?
C31 C32 H32B 110.0 . . ?
H32A C32 H32B 108.4 . . ?
O1 C29 H29A 110.2 . . ?
O1 C29 H29B 110.2 . . ?
O1 C29 C30 107.4(4) . . ?
H29A C29 H29B 108.5 . . ?
C30 C29 H29A 110.2 . . ?
C30 C29 H29B 110.2 . . ?
C31 C30 C29 104.5(4) . . ?
C31 C30 H30A 110.9 . . ?
C31 C30 H30B 110.9 . . ?
C29 C30 H30A 110.9 . . ?
C29 C30 H30B 110.9 . . ?
H30A C30 H30B 108.9 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.064
_oxdiff_exptl_absorpt_empirical_full_min 0.973
####################################################################### 
# 
# 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_fdz035smart
_database_code_depnum_ccdc_archive 'CCDC 1815070'
_audit_update_record             
;
2018-01-05 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_audit_creation_date             2016-11-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H30 P4 Ru2'
_chemical_formula_sum            'C20 H30 P4 Ru2'
_chemical_formula_weight         596.46
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H30P4Ru2
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'
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      tetragonal
_space_group_IT_number           106
_space_group_name_H-M_alt        'P 42 b c'
_space_group_name_Hall           'P 4c -2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z+1/2'
'y, -x, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   22.8500(5)
_cell_length_b                   22.8500(5)
_cell_length_c                   8.9379(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4666.7(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6296
_cell_measurement_temperature    105(1)
_cell_measurement_theta_max      31.0990
_cell_measurement_theta_min      2.8210
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.572
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            36044
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.504
_diffrn_reflns_theta_min         2.819
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      105(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0839
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -100.00 -61.00   1.00   10.00    --  -26.39 165.00 127.00   39
  2  ω    -95.00  -4.00   1.00   10.00    --  -26.39 -19.00 150.00   91
  3  ω    -46.00  52.00   1.00   10.00    --   26.86 -38.00-120.00   98
  4  ω     -3.00  97.00   1.00   10.00    --   26.86  77.00   0.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0278822000
_diffrn_orient_matrix_UB_12      0.0135188000
_diffrn_orient_matrix_UB_13      -0.0051850000
_diffrn_orient_matrix_UB_21      -0.0129119000
_diffrn_orient_matrix_UB_22      -0.0275490000
_diffrn_orient_matrix_UB_23      -0.0157953000
_diffrn_orient_matrix_UB_31      -0.0044633000
_diffrn_orient_matrix_UB_32      -0.0046970000
_diffrn_orient_matrix_UB_33      0.0775682000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.884
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                6134
_reflns_number_total             7101
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.102
_refine_ls_abs_structure_details 
;
 Flack x determined using 2495 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.05(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         7101
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.031
_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)+(0.0200P)²+0.7451P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0640
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C7(H7A,H7B,H7C), C20(H20A,H20B,H20C), C8(H8A,H8B,H8C),
 C19(H19A,H19B,H19C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C), C17(H17A,H17B,H17C),
  C18(H18A,H18B,H18C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ru2 Ru 0.21023(2) 0.48690(2) 0.42351(4) 0.01383(8) Uani 1 1 d . . . . .
Ru1 Ru 0.28966(2) 0.54967(2) 0.58483(5) 0.01487(8) Uani 1 1 d . . . . .
P4 P 0.18972(6) 0.57104(8) 0.5628(2) 0.0399(5) Uani 1 1 d . . . . .
P1 P 0.31071(7) 0.49295(9) 0.3721(2) 0.0429(5) Uani 1 1 d . . . . .
P2 P 0.29098(9) 0.44329(7) 0.5590(3) 0.0592(7) Uani 1 1 d . . . . .
P3 P 0.20676(10) 0.49773(10) 0.69354(18) 0.0558(7) Uani 1 1 d . . . . .
C15 C 0.1721(2) 0.5054(2) 0.1989(5) 0.0148(10) Uani 1 1 d . . . . .
C2 C 0.3482(2) 0.5856(2) 0.7604(6) 0.0190(10) Uani 1 1 d . . . . .
C14 C 0.1251(2) 0.5011(2) 0.3038(5) 0.0147(10) Uani 1 1 d . . . . .
C4 C 0.3122(2) 0.6449(2) 0.5699(6) 0.0194(10) Uani 1 1 d . . . . .
C3 C 0.3053(2) 0.6287(2) 0.7242(6) 0.0189(11) Uani 1 1 d . . . . .
C13 C 0.1255(2) 0.4438(2) 0.3676(5) 0.0167(10) Uani 1 1 d . . . . .
C5 C 0.3600(2) 0.6126(2) 0.5113(6) 0.0193(11) Uani 1 1 d . . . . .
C16 C 0.2480(2) 0.4309(2) 0.0861(6) 0.0255(11) Uani 1 1 d . . . . .
H16A H 0.2692 0.4649 0.0536 0.038 Uiso 1 1 calc GR . . . .
H16B H 0.2304 0.4121 0.0012 0.038 Uiso 1 1 calc GR . . . .
H16C H 0.2743 0.4042 0.1344 0.038 Uiso 1 1 calc GR . . . .
C11 C 0.2007(2) 0.4492(2) 0.1949(5) 0.0161(10) Uani 1 1 d . . . . .
C1 C 0.3815(2) 0.5756(2) 0.6289(6) 0.0203(11) Uani 1 1 d . . . . .
C12 C 0.1723(2) 0.4113(2) 0.3007(5) 0.0183(11) Uani 1 1 d . . . . .
C7 C 0.3611(3) 0.5616(2) 0.9132(7) 0.0290(12) Uani 1 1 d . . . . .
H7A H 0.3250 0.5550 0.9657 0.044 Uiso 1 1 calc GR . . . .
H7B H 0.3846 0.5891 0.9678 0.044 Uiso 1 1 calc GR . . . .
H7C H 0.3819 0.5253 0.9037 0.044 Uiso 1 1 calc GR . . . .
C20 C 0.1859(2) 0.5562(2) 0.0983(6) 0.0237(11) Uani 1 1 d . . . . .
H20A H 0.1694 0.5913 0.1396 0.036 Uiso 1 1 calc GR . . . .
H20B H 0.1695 0.5492 0.0010 0.036 Uiso 1 1 calc GR . . . .
H20C H 0.2275 0.5605 0.0900 0.036 Uiso 1 1 calc GR . . . .
C8 C 0.2640(3) 0.6566(3) 0.8335(7) 0.0320(14) Uani 1 1 d . . . . .
H8A H 0.2309 0.6723 0.7807 0.048 Uiso 1 1 calc GR . . . .
H8B H 0.2838 0.6876 0.8855 0.048 Uiso 1 1 calc GR . . . .
H8C H 0.2508 0.6279 0.9042 0.048 Uiso 1 1 calc GR . . . .
C19 C 0.0789(2) 0.5464(2) 0.3290(6) 0.0221(11) Uani 1 1 d . . . . .
H19A H 0.0655 0.5443 0.4307 0.033 Uiso 1 1 calc GR . . . .
H19B H 0.0466 0.5393 0.2626 0.033 Uiso 1 1 calc GR . . . .
H19C H 0.0948 0.5845 0.3099 0.033 Uiso 1 1 calc GR . . . .
C6 C 0.4349(2) 0.5374(3) 0.6184(7) 0.0349(15) Uani 1 1 d . . . . .
H6A H 0.4303 0.5042 0.6832 0.052 Uiso 1 1 calc GR . . . .
H6B H 0.4688 0.5593 0.6482 0.052 Uiso 1 1 calc GR . . . .
H6C H 0.4397 0.5242 0.5172 0.052 Uiso 1 1 calc GR . . . .
C10 C 0.3857(3) 0.6197(3) 0.3593(6) 0.0370(15) Uani 1 1 d . . . . .
H10A H 0.4029 0.5833 0.3279 0.056 Uiso 1 1 calc GR . . . .
H10B H 0.4153 0.6495 0.3617 0.056 Uiso 1 1 calc GR . . . .
H10C H 0.3556 0.6308 0.2901 0.056 Uiso 1 1 calc GR . . . .
C17 C 0.1855(3) 0.3479(2) 0.3253(7) 0.0297(13) Uani 1 1 d . . . . .
H17A H 0.2259 0.3405 0.3030 0.045 Uiso 1 1 calc GR . . . .
H17B H 0.1613 0.3246 0.2609 0.045 Uiso 1 1 calc GR . . . .
H17C H 0.1777 0.3379 0.4277 0.045 Uiso 1 1 calc GR . . . .
C18 C 0.0816(2) 0.4195(3) 0.4748(6) 0.0275(12) Uani 1 1 d . . . . .
H18A H 0.1007 0.3933 0.5430 0.041 Uiso 1 1 calc GR . . . .
H18B H 0.0519 0.3987 0.4204 0.041 Uiso 1 1 calc GR . . . .
H18C H 0.0639 0.4510 0.5298 0.041 Uiso 1 1 calc GR . . . .
C9 C 0.2794(3) 0.6922(3) 0.4901(7) 0.0367(16) Uani 1 1 d . . . . .
H9A H 0.2785 0.6838 0.3849 0.055 Uiso 1 1 calc GR . . . .
H9B H 0.2986 0.7291 0.5063 0.055 Uiso 1 1 calc GR . . . .
H9C H 0.2402 0.6942 0.5278 0.055 Uiso 1 1 calc GR . . . .


_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
Ru2 Ru1 2.7258(5) . ?
Ru2 P4 2.3378(16) . ?
Ru2 P1 2.3456(16) . ?
Ru2 P2 2.4213(17) . ?
Ru2 P3 2.4275(17) . ?
Ru2 C15 2.229(5) . ?
Ru2 C14 2.243(5) . ?
Ru2 C13 2.228(5) . ?
Ru2 C11 2.228(5) . ?
Ru2 C12 2.221(5) . ?
Ru1 P4 2.3434(15) . ?
Ru1 P1 2.3509(17) . ?
Ru1 P2 2.4419(16) . ?
Ru1 P3 2.4374(18) . ?
Ru1 C2 2.219(5) . ?
Ru1 C4 2.239(5) . ?
Ru1 C3 2.222(5) . ?
Ru1 C5 2.256(5) . ?
Ru1 C1 2.216(5) . ?
P4 P3 2.079(3) . ?
P1 P2 2.069(3) . ?
P2 P3 2.588(4) . ?
C15 C14 1.428(7) . ?
C15 C11 1.442(7) . ?
C15 C20 1.501(7) . ?
C2 C3 1.426(7) . ?
C2 C1 1.418(7) . ?
C2 C7 1.501(7) . ?
C14 C13 1.427(6) . ?
C14 C19 1.497(7) . ?
C4 C3 1.437(8) . ?
C4 C5 1.418(7) . ?
C4 C9 1.497(7) . ?
C3 C8 1.501(7) . ?
C13 C12 1.432(7) . ?
C13 C18 1.495(7) . ?
C5 C1 1.435(7) . ?
C5 C10 1.489(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 C11 1.512(7) . ?
C11 C12 1.436(7) . ?
C1 C6 1.504(7) . ?
C12 C17 1.498(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?

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
P4 Ru2 Ru1 54.48(4) . . ?
P4 Ru2 P1 104.60(6) . . ?
P4 Ru2 P2 103.00(7) . . ?
P4 Ru2 P3 51.70(8) . . ?
P1 Ru2 Ru1 54.61(4) . . ?
P1 Ru2 P2 51.42(8) . . ?
P1 Ru2 P3 102.76(7) . . ?
P2 Ru2 Ru1 56.27(4) . . ?
P2 Ru2 P3 64.52(9) . . ?
P3 Ru2 Ru1 56.10(4) . . ?
C15 Ru2 Ru1 129.56(13) . . ?
C15 Ru2 P4 104.19(13) . . ?
C15 Ru2 P1 101.25(14) . . ?
C15 Ru2 P2 145.72(14) . . ?
C15 Ru2 P3 149.69(15) . . ?
C15 Ru2 C14 37.24(17) . . ?
C14 Ru2 Ru1 138.89(13) . . ?
C14 Ru2 P4 87.79(13) . . ?
C14 Ru2 P1 138.29(13) . . ?
C14 Ru2 P2 163.46(13) . . ?
C14 Ru2 P3 115.55(13) . . ?
C13 Ru2 Ru1 158.36(13) . . ?
C13 Ru2 P4 107.98(14) . . ?
C13 Ru2 P1 146.33(14) . . ?
C13 Ru2 P2 126.32(13) . . ?
C13 Ru2 P3 103.87(13) . . ?
C13 Ru2 C15 62.75(17) . . ?
C13 Ru2 C14 37.23(17) . . ?
C13 Ru2 C11 62.51(18) . . ?
C11 Ru2 Ru1 138.91(13) . . ?
C11 Ru2 P4 141.89(14) . . ?
C11 Ru2 P1 86.49(13) . . ?
C11 Ru2 P2 111.95(14) . . ?
C11 Ru2 P3 161.42(14) . . ?
C11 Ru2 C15 37.76(17) . . ?
C11 Ru2 C14 62.21(17) . . ?
C12 Ru2 Ru1 158.41(13) . . ?
C12 Ru2 P4 145.49(14) . . ?
C12 Ru2 P1 109.31(14) . . ?
C12 Ru2 P2 102.96(14) . . ?
C12 Ru2 P3 123.89(14) . . ?
C12 Ru2 C15 63.27(18) . . ?
C12 Ru2 C14 62.53(18) . . ?
C12 Ru2 C13 37.55(18) . . ?
C12 Ru2 C11 37.66(18) . . ?
P4 Ru1 Ru2 54.29(4) . . ?
P4 Ru1 P1 104.25(6) . . ?
P4 Ru1 P2 102.21(6) . . ?
P4 Ru1 P3 51.52(8) . . ?
P1 Ru1 Ru2 54.43(4) . . ?
P1 Ru1 P2 51.11(8) . . ?
P1 Ru1 P3 102.30(7) . . ?
P2 Ru1 Ru2 55.55(4) . . ?
P3 Ru1 Ru2 55.75(4) . . ?
P3 Ru1 P2 64.06(9) . . ?
C2 Ru1 Ru2 165.91(13) . . ?
C2 Ru1 P4 124.72(15) . . ?
C2 Ru1 P1 130.73(15) . . ?
C2 Ru1 P2 115.32(14) . . ?
C2 Ru1 P3 111.50(14) . . ?
C2 Ru1 C4 62.88(19) . . ?
C2 Ru1 C3 37.47(18) . . ?
C2 Ru1 C5 62.63(19) . . ?
C4 Ru1 Ru2 129.26(13) . . ?
C4 Ru1 P4 90.96(13) . . ?
C4 Ru1 P1 116.12(15) . . ?
C4 Ru1 P2 163.43(15) . . ?
C4 Ru1 P3 132.49(14) . . ?
C4 Ru1 C5 36.78(18) . . ?
C3 Ru1 Ru2 146.19(14) . . ?
C3 Ru1 P4 91.97(14) . . ?
C3 Ru1 P1 150.28(14) . . ?
C3 Ru1 P2 149.28(15) . . ?
C3 Ru1 P3 107.26(14) . . ?
C3 Ru1 C4 37.6(2) . . ?
C3 Ru1 C5 62.01(18) . . ?
C5 Ru1 Ru2 131.02(13) . . ?
C5 Ru1 P4 122.50(14) . . ?
C5 Ru1 P1 88.30(14) . . ?
C5 Ru1 P2 126.77(15) . . ?
C5 Ru1 P3 168.74(15) . . ?
C1 Ru1 Ru2 149.93(13) . . ?
C1 Ru1 P4 151.87(14) . . ?
C1 Ru1 P1 95.60(14) . . ?
C1 Ru1 P2 105.77(14) . . ?
C1 Ru1 P3 142.70(14) . . ?
C1 Ru1 C2 37.31(18) . . ?
C1 Ru1 C4 62.14(18) . . ?
C1 Ru1 C3 62.02(18) . . ?
C1 Ru1 C5 37.42(18) . . ?
Ru2 P4 Ru1 71.22(4) . . ?
P3 P4 Ru2 66.38(7) . . ?
P3 P4 Ru1 66.58(8) . . ?
Ru2 P1 Ru1 70.96(5) . . ?
P2 P1 Ru2 66.18(8) . . ?
P2 P1 Ru1 66.72(8) . . ?
Ru2 P2 Ru1 68.18(4) . . ?
Ru2 P2 P3 57.86(6) . . ?
Ru1 P2 P3 57.88(6) . . ?
P1 P2 Ru2 62.40(7) . . ?
P1 P2 Ru1 62.17(7) . . ?
P1 P2 P3 105.89(9) . . ?
Ru2 P3 Ru1 68.15(5) . . ?
Ru2 P3 P2 57.63(6) . . ?
Ru1 P3 P2 58.05(6) . . ?
P4 P3 Ru2 61.92(7) . . ?
P4 P3 Ru1 61.91(6) . . ?
P4 P3 P2 105.37(9) . . ?
C14 C15 Ru2 71.9(3) . . ?
C14 C15 C11 107.2(4) . . ?
C14 C15 C20 127.2(4) . . ?
C11 C15 Ru2 71.1(3) . . ?
C11 C15 C20 125.4(4) . . ?
C20 C15 Ru2 127.2(3) . . ?
C3 C2 Ru1 71.4(3) . . ?
C3 C2 C7 126.4(5) . . ?
C1 C2 Ru1 71.2(3) . . ?
C1 C2 C3 107.0(4) . . ?
C1 C2 C7 126.1(5) . . ?
C7 C2 Ru1 128.8(4) . . ?
C15 C14 Ru2 70.8(3) . . ?
C15 C14 C19 125.6(4) . . ?
C13 C14 Ru2 70.8(3) . . ?
C13 C14 C15 108.7(4) . . ?
C13 C14 C19 125.3(4) . . ?
C19 C14 Ru2 129.8(3) . . ?
C3 C4 Ru1 70.6(3) . . ?
C3 C4 C9 126.1(5) . . ?
C5 C4 Ru1 72.2(3) . . ?
C5 C4 C3 107.8(4) . . ?
C5 C4 C9 125.8(5) . . ?
C9 C4 Ru1 128.0(4) . . ?
C2 C3 Ru1 71.2(3) . . ?
C2 C3 C4 108.6(4) . . ?
C2 C3 C8 125.3(5) . . ?
C4 C3 Ru1 71.9(3) . . ?
C4 C3 C8 125.7(5) . . ?
C8 C3 Ru1 127.6(4) . . ?
C14 C13 Ru2 72.0(3) . . ?
C14 C13 C12 108.3(4) . . ?
C14 C13 C18 126.3(5) . . ?
C12 C13 Ru2 71.0(3) . . ?
C12 C13 C18 125.2(5) . . ?
C18 C13 Ru2 127.1(3) . . ?
C4 C5 Ru1 71.0(3) . . ?
C4 C5 C1 107.4(4) . . ?
C4 C5 C10 125.8(5) . . ?
C1 C5 Ru1 69.8(3) . . ?
C1 C5 C10 126.7(5) . . ?
C10 C5 Ru1 128.0(4) . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
C15 C11 Ru2 71.1(3) . . ?
C15 C11 C16 125.8(5) . . ?
C16 C11 Ru2 128.8(3) . . ?
C12 C11 Ru2 70.9(3) . . ?
C12 C11 C15 108.4(4) . . ?
C12 C11 C16 125.5(5) . . ?
C2 C1 Ru1 71.5(3) . . ?
C2 C1 C5 109.2(5) . . ?
C2 C1 C6 125.5(5) . . ?
C5 C1 Ru1 72.8(3) . . ?
C5 C1 C6 125.0(5) . . ?
C6 C1 Ru1 127.0(4) . . ?
C13 C12 Ru2 71.5(3) . . ?
C13 C12 C11 107.4(4) . . ?
C13 C12 C17 126.2(5) . . ?
C11 C12 Ru2 71.4(3) . . ?
C11 C12 C17 126.1(5) . . ?
C17 C12 Ru2 127.0(4) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.154
_oxdiff_exptl_absorpt_empirical_full_min 0.898
####################################################################### 
# 
# 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_cpstarru2p4cl2pcy3
_database_code_depnum_ccdc_archive 'CCDC 1815071'
_audit_update_record             
;
2018-07-31 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_audit_creation_date             2018-07-31
_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         'C38.03 H63.04 Cl2 P5 Ru2, C4 H10 O2'
_chemical_formula_sum            'C42.03 H73.04 Cl2 O2 P5 Ru2'
_chemical_formula_weight         1038.30
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7474(2)
_cell_length_b                   13.3991(2)
_cell_length_c                   14.5781(3)
_cell_angle_alpha                70.6590(10)
_cell_angle_beta                 79.0950(10)
_cell_angle_gamma                88.9330(10)
_cell_volume                     2304.44(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9764
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      33.12
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            46733
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         1.509
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean 8.33
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'fixed chi three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7995
_reflns_number_total             8757
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.280
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     566
_refine_ls_number_reflns         8757
_refine_ls_number_restraints     436
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0226
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0261P)²+2.8052P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0587
_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
 C20B-C16B \\sim C16C-C20C \\sim C20A-C16A \\sim C17C-C16C \\sim C20B-C19B
\\sim C20A-C19A \\sim C20C-
 C19C \\sim C18A-C17A \\sim C19B-C18B \\sim C19C-C18C \\sim C19A-C18A \\sim
C18B-C17B \\sim C17C-C18C ~
 C17B-C16B \\sim C17A-C16A
 with sigma of 0.02
 C19C-C14C \\sim C19B-C14B \\sim C19A-C14A \\sim C20C-C15C \\sim C20A-C15A
\\sim C20B-C15B \\sim C16C-
 C11C \\sim C16B-C11B \\sim C16A-C11A \\sim C17C-C12C \\sim C17B-C12B \\sim
C17A-C12A \\sim C18C-C13C ~
 C18B-C13B \\sim C18A-C13A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C13A) = Uanis(C13B) = Uanis(C13C) = Uanis(C12A) = Uanis(C12B) =
Uanis(C12C) = Uanis(C11A) = Uanis(C11B) = Uanis(C11C) = Uanis(C15A) =
Uanis(C15B) = Uanis(C15C) = Uanis(C14A) = Uanis(C14B) = Uanis(C14C)
Uanis(C18A) = Uanis(C16C)
4. Rigid body (RIGU) restrains
 C15B, C14B, C13B, C12B, C11B, C17B, C18B, C19B, C20B, C16B, C19A, C14A, C13A,
 C12A, C11A, C15A, C18A, C17A, C16A, C20A, C11C, C15C, C14C, C13C, C12C, C18C,
 C19C, C20C, C16C, C17C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 1*[Sof(C19A)+Sof(H19D)+Sof(H19E)+Sof(H19F)+Sof(C14A)+Sof(C13A)+Sof(C12A)+
 Sof(C11A)+Sof(C15A)+Sof(C18A)+Sof(H18D)+Sof(H18E)+Sof(H18F)+Sof(C17A)+
 Sof(H17D)+Sof(H17E)+Sof(H17F)+Sof(C16A)+Sof(H16D)+Sof(H16E)+Sof(H16F)+
 Sof(C20A)+Sof(H20D)+Sof(H20E)+Sof(H20F)]+1*[Sof(C15B)+Sof(C14B)+Sof(C13B)+
 Sof(C12B)+Sof(C11B)+Sof(C17B)+Sof(H17A)+Sof(H17B)+Sof(H17C)+Sof(C18B)+
 Sof(H18A)+Sof(H18B)+Sof(H18C)+Sof(C19B)+Sof(H19A)+Sof(H19B)+Sof(H19C)+
 Sof(C20B)+Sof(H20A)+Sof(H20B)+Sof(H20C)+Sof(C16B)+Sof(H16A)+Sof(H16B)+
 Sof(H16C)]+1*[Sof(C11C)+Sof(C15C)+Sof(C14C)+Sof(C13C)+Sof(C12C)+Sof(C18C)+
 Sof(H18G)+Sof(H18H)+Sof(H18I)+Sof(C19C)+Sof(H19G)+Sof(H19H)+Sof(H19I)+
 Sof(C20C)+Sof(H20G)+Sof(H20H)+Sof(H20I)+Sof(C16C)+Sof(H16G)+Sof(H16H)+
 Sof(H16I)+Sof(C17C)+Sof(H17G)+Sof(H17H)+Sof(H17I)]=1 with esd of 0.001
 Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=Sof(C14A)=Sof(C13A)=Sof(C12A)=
 Sof(C11A)=Sof(C15A)=Sof(C18A)=Sof(H18D)=Sof(H18E)=Sof(H18F)=Sof(C17A)=
 Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C16A)=Sof(H16D)=Sof(H16E)=Sof(H16F)=
 Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=FVAR(1)
 Sof(C15B)=Sof(C14B)=Sof(C13B)=Sof(C12B)=Sof(C11B)=Sof(C17B)=Sof(H17A)=
 Sof(H17B)=Sof(H17C)=Sof(C18B)=Sof(H18A)=Sof(H18B)=Sof(H18C)=Sof(C19B)=
 Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C20B)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C16B)=Sof(H16A)=Sof(H16B)=Sof(H16C)=FVAR(2)
 Sof(C11C)=Sof(C15C)=Sof(C14C)=Sof(C13C)=Sof(C12C)=Sof(C18C)=Sof(H18G)=
 Sof(H18H)=Sof(H18I)=Sof(C19C)=Sof(H19G)=Sof(H19H)=Sof(H19I)=Sof(C20C)=
 Sof(H20G)=Sof(H20H)=Sof(H20I)=Sof(C16C)=Sof(H16G)=Sof(H16H)=Sof(H16I)=
 Sof(C17C)=Sof(H17G)=Sof(H17H)=Sof(H17I)=FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C21(H21), C27(H27), C33(H33)
6.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,
 H26B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B),
 C32(H32A,H32B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B),
  C38(H38A,H38B), C41(H41A,H41B), C40(H40A,H40B)
6.c Fitted pentagon refined as free rotating group:
 C15B(C14B,C13B,C12B,C11B), C14A(C13A,C12A,C11A,C15A), C11C(C15C,C14C,C13C,C12C)
6.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C),
 C9(H9A,H9B,H9C), C17B(H17A,H17B,H17C), C18B(H18A,H18B,H18C), C19B(H19A,H19B,
 H19C), C20B(H20A,H20B,H20C), C16B(H16A,H16B,H16C), C19A(H19D,H19E,H19F),
 C18A(H18D,H18E,H18F), C17A(H17D,H17E,H17F), C16A(H16D,H16E,H16F), C20A(H20D,
 H20E,H20F), C39(H39A,H39B,H39C), C42(H42A,H42B,H42C), C18C(H18G,H18H,H18I),
 C19C(H19G,H19H,H19I), C20C(H20G,H20H,H20I), C16C(H16G,H16H,H16I), C17C(H17G,
 H17H,H17I)
;
_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
C5 C 0.44619(17) 0.13779(18) 0.28863(16) 0.0177(4) Uani 1 1 d . . . . .
C1 C 0.39039(16) 0.05209(17) 0.27612(15) 0.0162(4) Uani 1 1 d . . . . .
C2 C 0.38639(16) 0.08048(17) 0.17380(15) 0.0158(4) Uani 1 1 d . . . . .
C3 C 0.43347(16) 0.18479(17) 0.12379(15) 0.0170(4) Uani 1 1 d . . . . .
C4 C 0.47312(16) 0.21849(17) 0.19550(16) 0.0174(4) Uani 1 1 d . . . . .
C10 C 0.48443(19) 0.1354(2) 0.38008(17) 0.0274(5) Uani 1 1 d . . . . .
H10A H 0.443354 0.082215 0.436503 0.041 Uiso 1 1 calc GR . . . .
H10B H 0.475920 0.203315 0.388674 0.041 Uiso 1 1 calc GR . . . .
H10C H 0.558574 0.119232 0.373802 0.041 Uiso 1 1 calc GR . . . .
C6 C 0.36542(19) -0.05419(18) 0.35584(17) 0.0248(5) Uani 1 1 d . . . . .
H6A H 0.430822 -0.085253 0.372186 0.037 Uiso 1 1 calc GR . . . .
H6B H 0.328027 -0.099585 0.332533 0.037 Uiso 1 1 calc GR . . . .
H6C H 0.321481 -0.045587 0.413690 0.037 Uiso 1 1 calc GR . . . .
C7 C 0.35805(18) 0.00686(19) 0.12343(17) 0.0231(5) Uani 1 1 d . . . . .
H7A H 0.421443 -0.024886 0.100856 0.035 Uiso 1 1 calc GR . . . .
H7B H 0.326808 0.045712 0.067820 0.035 Uiso 1 1 calc GR . . . .
H7C H 0.307703 -0.047490 0.169262 0.035 Uiso 1 1 calc GR . . . .
C8 C 0.46330(19) 0.2407(2) 0.01379(16) 0.0263(5) Uani 1 1 d . . . . .
H8A H 0.539743 0.245408 -0.006424 0.039 Uiso 1 1 calc GR . . . .
H8B H 0.436584 0.310588 -0.002327 0.039 Uiso 1 1 calc GR . . . .
H8C H 0.432631 0.201667 -0.020092 0.039 Uiso 1 1 calc GR . . . .
C9 C 0.54562(18) 0.31347(19) 0.17249(19) 0.0271(5) Uani 1 1 d . . . . .
H9A H 0.528509 0.343388 0.224622 0.041 Uiso 1 1 calc GR . . . .
H9B H 0.536461 0.365082 0.110988 0.041 Uiso 1 1 calc GR . . . .
H9C H 0.618500 0.293011 0.167071 0.041 Uiso 1 1 calc GR . . . .
C21 C 0.00492(16) 0.22079(16) 0.27137(14) 0.0130(4) Uani 1 1 d . . . . .
H21 H 0.030039 0.282292 0.284808 0.016 Uiso 1 1 calc R . . . .
C22 C -0.03288(16) 0.13656(16) 0.37387(14) 0.0141(4) Uani 1 1 d . . . . .
H22A H -0.060260 0.073782 0.365379 0.017 Uiso 1 1 calc R . . . .
H22B H 0.027670 0.116904 0.406574 0.017 Uiso 1 1 calc R . . . .
C23 C -0.11961(17) 0.17584(18) 0.43925(15) 0.0188(5) Uani 1 1 d . . . . .
H23A H -0.143747 0.119174 0.501471 0.023 Uiso 1 1 calc R . . . .
H23B H -0.090217 0.233906 0.453802 0.023 Uiso 1 1 calc R . . . .
C24 C -0.21405(17) 0.21294(19) 0.38876(16) 0.0206(5) Uani 1 1 d . . . . .
H24A H -0.266350 0.241160 0.430133 0.025 Uiso 1 1 calc R . . . .
H24B H -0.247929 0.153398 0.379959 0.025 Uiso 1 1 calc R . . . .
C25 C -0.17684(17) 0.29816(18) 0.28813(16) 0.0202(5) Uani 1 1 d . . . . .
H25A H -0.147623 0.359561 0.297615 0.024 Uiso 1 1 calc R . . . .
H25B H -0.237628 0.319872 0.256152 0.024 Uiso 1 1 calc R . . . .
C26 C -0.09186(16) 0.25807(17) 0.22125(15) 0.0167(4) Uani 1 1 d . . . . .
H26A H -0.068543 0.314350 0.158584 0.020 Uiso 1 1 calc R . . . .
H26B H -0.122306 0.199724 0.207859 0.020 Uiso 1 1 calc R . . . .
C27 C 0.11217(17) 0.25907(16) 0.06861(14) 0.0144(4) Uani 1 1 d . . . . .
H27 H 0.037426 0.251499 0.063357 0.017 Uiso 1 1 calc R . . . .
C28 C 0.13736(18) 0.37662(17) 0.04698(15) 0.0183(4) Uani 1 1 d . . . . .
H28A H 0.210638 0.386308 0.053084 0.022 Uiso 1 1 calc R . . . .
H28B H 0.090896 0.400344 0.095756 0.022 Uiso 1 1 calc R . . . .
C29 C 0.1225(2) 0.44433(18) -0.05674(16) 0.0250(5) Uani 1 1 d . . . . .
H29A H 0.047993 0.439664 -0.061553 0.030 Uiso 1 1 calc R . . . .
H29B H 0.141820 0.517818 -0.068528 0.030 Uiso 1 1 calc R . . . .
C30 C 0.1917(2) 0.4066(2) -0.13418(17) 0.0323(6) Uani 1 1 d . . . . .
H30A H 0.266497 0.417550 -0.133455 0.039 Uiso 1 1 calc R . . . .
H30B H 0.178858 0.447673 -0.199336 0.039 Uiso 1 1 calc R . . . .
C31 C 0.1671(2) 0.28999(19) -0.11413(16) 0.0270(5) Uani 1 1 d . . . . .
H31A H 0.214193 0.266941 -0.163031 0.032 Uiso 1 1 calc R . . . .
H31B H 0.094084 0.280373 -0.120928 0.032 Uiso 1 1 calc R . . . .
C32 C 0.18131(19) 0.22147(18) -0.01025(15) 0.0201(5) Uani 1 1 d . . . . .
H32A H 0.161325 0.148245 0.001076 0.024 Uiso 1 1 calc R . . . .
H32B H 0.255858 0.225265 -0.005328 0.024 Uiso 1 1 calc R . . . .
C33 C 0.09004(16) 0.04433(16) 0.20090(14) 0.0137(4) Uani 1 1 d . . . . .
H33 H 0.144261 0.031773 0.149019 0.016 Uiso 1 1 calc R . . . .
C34 C -0.01753(17) 0.02870(17) 0.17343(16) 0.0167(4) Uani 1 1 d . . . . .
H34A H -0.075453 0.035898 0.224238 0.020 Uiso 1 1 calc R . . . .
H34B H -0.023126 0.083098 0.111349 0.020 Uiso 1 1 calc R . . . .
C35 C -0.02819(19) -0.08051(18) 0.16317(17) 0.0215(5) Uani 1 1 d . . . . .
H35A H -0.098242 -0.089770 0.149460 0.026 Uiso 1 1 calc R . . . .
H35B H 0.025089 -0.084770 0.107638 0.026 Uiso 1 1 calc R . . . .
C36 C -0.01361(19) -0.16879(17) 0.25677(17) 0.0219(5) Uani 1 1 d . . . . .
H36A H -0.015387 -0.236317 0.245938 0.026 Uiso 1 1 calc R . . . .
H36B H -0.072202 -0.170303 0.310525 0.026 Uiso 1 1 calc R . . . .
C37 C 0.09227(18) -0.15305(17) 0.28586(16) 0.0205(5) Uani 1 1 d . . . . .
H37A H 0.097102 -0.207639 0.348044 0.025 Uiso 1 1 calc R . . . .
H37B H 0.151095 -0.159870 0.235630 0.025 Uiso 1 1 calc R . . . .
C38 C 0.10170(17) -0.04434(16) 0.29683(15) 0.0165(4) Uani 1 1 d . . . . .
H38A H 0.170670 -0.035325 0.312725 0.020 Uiso 1 1 calc R . . . .
H38B H 0.046577 -0.039755 0.350958 0.020 Uiso 1 1 calc R . . . .
C15B C 0.3089(4) 0.4392(7) 0.5076(4) 0.0180(4) Uani 0.417(6) 1 d D U P A 3
C14B C 0.4048(7) 0.3896(3) 0.4842(6) 0.0180(4) Uani 0.417(6) 1 d DG U P A 3
C13B C 0.4598(3) 0.4527(10) 0.3888(6) 0.0180(4) Uani 0.417(6) 1 d DG U P A 3
C12B C 0.3979(9) 0.5414(6) 0.3532(3) 0.0180(4) Uani 0.417(6) 1 d DG U P A 3
C11B C 0.3046(7) 0.5331(5) 0.4266(8) 0.0180(4) Uani 0.417(6) 1 d DG U P A 3
C17B C 0.4264(8) 0.6338(6) 0.2591(6) 0.062(4) Uani 0.417(6) 1 d D U P A 3
H17A H 0.463719 0.688347 0.271228 0.092 Uiso 0.417(6) 1 calc GR . P A 3
H17B H 0.362278 0.660924 0.236282 0.092 Uiso 0.417(6) 1 calc GR . P A 3
H17C H 0.471374 0.611434 0.209529 0.092 Uiso 0.417(6) 1 calc GR . P A 3
C18B C 0.5736(5) 0.4417(7) 0.3399(6) 0.043(2) Uani 0.417(6) 1 d D U P A 3
H18A H 0.622745 0.472670 0.366342 0.065 Uiso 0.417(6) 1 calc GR . P A 3
H18B H 0.582988 0.477303 0.269678 0.065 Uiso 0.417(6) 1 calc GR . P A 3
H18C H 0.586986 0.368012 0.352659 0.065 Uiso 0.417(6) 1 calc GR . P A 3
C19B C 0.4504(7) 0.2914(5) 0.5475(5) 0.039(2) Uani 0.417(6) 1 d D U P A 3
H19A H 0.474183 0.306184 0.600473 0.059 Uiso 0.417(6) 1 calc GR . P A 3
H19B H 0.509655 0.270557 0.507510 0.059 Uiso 0.417(6) 1 calc GR . P A 3
H19C H 0.396124 0.235088 0.574507 0.059 Uiso 0.417(6) 1 calc GR . P A 3
Cl1 Cl 0.22112(4) 0.10705(4) 0.52597(4) 0.02111(12) Uani 1 1 d . . . . .
Cl2 Cl 0.36134(4) 0.49746(4) 0.09317(4) 0.02271(12) Uani 1 1 d . . . . .
P1 P 0.23649(4) 0.22966(4) 0.38723(4) 0.01203(11) Uani 1 1 d . . . . .
P2 P 0.28868(4) 0.37609(4) 0.22356(4) 0.01325(11) Uani 1 1 d . . . . .
P3 P 0.15517(4) 0.45654(4) 0.27967(4) 0.01705(12) Uani 1 1 d . . . . .
P4 P 0.11377(4) 0.33272(4) 0.42145(4) 0.01627(12) Uani 1 1 d . . . . .
P5 P 0.12440(4) 0.18022(4) 0.19816(4) 0.01092(10) Uani 1 1 d . . . . .
Ru1 Ru 0.29360(2) 0.20038(2) 0.23984(2) 0.01034(5) Uani 1 1 d . . . . .
Ru2 Ru 0.29879(2) 0.39912(2) 0.37323(2) 0.01279(5) Uani 1 1 d . . . . .
C20B C 0.2332(7) 0.3987(11) 0.6047(6) 0.074(5) Uani 0.417(6) 1 d D U P A 3
H20A H 0.235720 0.323012 0.631183 0.111 Uiso 0.417(6) 1 calc GR . P A 3
H20B H 0.161932 0.417320 0.595494 0.111 Uiso 0.417(6) 1 calc GR . P A 3
H20C H 0.253227 0.429520 0.650068 0.111 Uiso 0.417(6) 1 calc GR . P A 3
C16B C 0.2199(8) 0.6110(8) 0.4264(9) 0.078(4) Uani 0.417(6) 1 d D U P A 3
H16A H 0.153079 0.574354 0.463195 0.116 Uiso 0.417(6) 1 calc GR . P A 3
H16B H 0.212960 0.648755 0.359421 0.116 Uiso 0.417(6) 1 calc GR . P A 3
H16C H 0.238904 0.660049 0.456537 0.116 Uiso 0.417(6) 1 calc GR . P A 3
C19A C 0.3608(19) 0.2963(13) 0.5951(12) 0.053(7) Uani 0.138(5) 1 d D U P A 2
H19D H 0.288131 0.268608 0.618592 0.079 Uiso 0.138(5) 1 calc GR . P A 2
H19E H 0.385381 0.314864 0.645875 0.079 Uiso 0.138(5) 1 calc GR . P A 2
H19F H 0.405083 0.243599 0.578526 0.079 Uiso 0.138(5) 1 calc GR . P A 2
C14A C 0.367(3) 0.3950(14) 0.5027(11) 0.0180(4) Uani 0.138(5) 1 d D U P A 2
C13A C 0.4505(14) 0.4196(16) 0.418(2) 0.0180(4) Uani 0.138(5) 1 d DG U P A 2
C12A C 0.4292(17) 0.5172(18) 0.3490(8) 0.0180(4) Uani 0.138(5) 1 d DG U P A 2
C11A C 0.3323(19) 0.5530(12) 0.391(2) 0.0180(4) Uani 0.138(5) 1 d DG U P A 2
C15A C 0.2938(12) 0.477(3) 0.4861(19) 0.0180(4) Uani 0.138(5) 1 d DG U P A 2
C18A C 0.5590(12) 0.3744(18) 0.4155(18) 0.050(2) Uani 0.138(5) 1 d D U P A 2
H18D H 0.552207 0.300914 0.455596 0.075 Uiso 0.138(5) 1 calc GR . P A 2
H18E H 0.603119 0.412052 0.440975 0.075 Uiso 0.138(5) 1 calc GR . P A 2
H18F H 0.591137 0.381350 0.348499 0.075 Uiso 0.138(5) 1 calc GR . P A 2
C17A C 0.4973(19) 0.5816(19) 0.2540(13) 0.066(9) Uani 0.138(5) 1 d D U P A 2
H17D H 0.535638 0.535612 0.222426 0.098 Uiso 0.138(5) 1 calc GR . P A 2
H17E H 0.547331 0.625854 0.266594 0.098 Uiso 0.138(5) 1 calc GR . P A 2
H17F H 0.453224 0.625135 0.211393 0.098 Uiso 0.138(5) 1 calc GR . P A 2
C16A C 0.2776(19) 0.6546(13) 0.3528(18) 0.053(7) Uani 0.138(5) 1 d D U P A 2
H16D H 0.294719 0.680426 0.281650 0.080 Uiso 0.138(5) 1 calc GR . P A 2
H16E H 0.301561 0.706259 0.377727 0.080 Uiso 0.138(5) 1 calc GR . P A 2
H16F H 0.201628 0.641993 0.374456 0.080 Uiso 0.138(5) 1 calc GR . P A 2
C20A C 0.1937(14) 0.4783(18) 0.5619(15) 0.050(7) Uani 0.138(5) 1 d D U P A 2
H20D H 0.135061 0.501831 0.528518 0.075 Uiso 0.138(5) 1 calc GR . P A 2
H20E H 0.206252 0.525443 0.596313 0.075 Uiso 0.138(5) 1 calc GR . P A 2
H20F H 0.176745 0.408097 0.608450 0.075 Uiso 0.138(5) 1 calc GR . P A 2
O1 O 0.77855(19) 0.22258(18) 0.03684(16) 0.0520(6) Uani 1 1 d . . . . .
C41 C 0.6962(2) 0.0552(2) 0.1263(2) 0.0405(7) Uani 1 1 d . . . . .
H41A H 0.741336 0.045878 0.174822 0.049 Uiso 1 1 calc R . . . .
H41B H 0.630383 0.085414 0.148185 0.049 Uiso 1 1 calc R . . . .
C40 C 0.7518(2) 0.1268(2) 0.0280(2) 0.0402(7) Uani 1 1 d . . . . .
H40A H 0.815872 0.094933 0.004967 0.048 Uiso 1 1 calc R . . . .
H40B H 0.705377 0.138144 -0.019768 0.048 Uiso 1 1 calc R . . . .
O2 O 0.67329(19) -0.04352(18) 0.11704(15) 0.0509(6) Uani 1 1 d . . . . .
C39 C 0.8286(3) 0.2969(2) -0.0544(2) 0.0482(8) Uani 1 1 d . . . . .
H39A H 0.783086 0.307057 -0.101911 0.072 Uiso 1 1 calc GR . . . .
H39B H 0.895452 0.271049 -0.078013 0.072 Uiso 1 1 calc GR . . . .
H39C H 0.841291 0.363068 -0.045298 0.072 Uiso 1 1 calc GR . . . .
C42 C 0.6239(3) -0.1177(3) 0.2067(3) 0.0600(10) Uani 1 1 d . . . . .
H42A H 0.612366 -0.183855 0.197172 0.090 Uiso 1 1 calc GR . . . .
H42B H 0.556399 -0.092710 0.230119 0.090 Uiso 1 1 calc GR . . . .
H42C H 0.668803 -0.127532 0.254685 0.090 Uiso 1 1 calc GR . . . .
C11C C 0.2839(3) 0.5112(6) 0.4573(7) 0.0180(4) Uani 0.448(6) 1 d D U P A 4
C15C C 0.3284(7) 0.4174(5) 0.5119(2) 0.0180(4) Uani 0.448(6) 1 d DG U P A 4
C14C C 0.4286(5) 0.4066(4) 0.4547(8) 0.0180(4) Uani 0.448(6) 1 d DG U P A 4
C13C C 0.4461(4) 0.4938(7) 0.3649(5) 0.0180(4) Uani 0.448(6) 1 d DG U P A 4
C12C C 0.3567(8) 0.5584(3) 0.3664(4) 0.0180(4) Uani 0.448(6) 1 d DG U P A 4
C18C C 0.5446(5) 0.5216(7) 0.2844(6) 0.049(2) Uani 0.448(6) 1 d D U P A 4
H18G H 0.591102 0.463419 0.295379 0.073 Uiso 0.448(6) 1 calc GR . P A 4
H18H H 0.581083 0.583254 0.285140 0.073 Uiso 0.448(6) 1 calc GR . P A 4
H18I H 0.524345 0.535892 0.221229 0.073 Uiso 0.448(6) 1 calc GR . P A 4
C19C C 0.5095(7) 0.3291(6) 0.4898(8) 0.064(3) Uani 0.448(6) 1 d D U P A 4
H19G H 0.474069 0.262082 0.530356 0.096 Uiso 0.448(6) 1 calc GR . P A 4
H19H H 0.549416 0.354410 0.527988 0.096 Uiso 0.448(6) 1 calc GR . P A 4
H19I H 0.557357 0.320615 0.433814 0.096 Uiso 0.448(6) 1 calc GR . P A 4
C20C C 0.2796(8) 0.3490(8) 0.6144(5) 0.063(4) Uani 0.448(6) 1 d D U P A 4
H20G H 0.205078 0.362448 0.628226 0.094 Uiso 0.448(6) 1 calc GR . P A 4
H20H H 0.315098 0.364488 0.660911 0.094 Uiso 0.448(6) 1 calc GR . P A 4
H20I H 0.287285 0.275891 0.619925 0.094 Uiso 0.448(6) 1 calc GR . P A 4
C16C C 0.1825(6) 0.5604(7) 0.4898(7) 0.050(2) Uani 0.448(6) 1 d D U P A 4
H16G H 0.152139 0.597438 0.433090 0.075 Uiso 0.448(6) 1 calc GR . P A 4
H16H H 0.198421 0.609249 0.521431 0.075 Uiso 0.448(6) 1 calc GR . P A 4
H16I H 0.132284 0.505922 0.535666 0.075 Uiso 0.448(6) 1 calc GR . P A 4
C17C C 0.3455(6) 0.6632(4) 0.2856(5) 0.0378(18) Uani 0.448(6) 1 d D U P A 4
H17G H 0.379043 0.659499 0.222121 0.057 Uiso 0.448(6) 1 calc GR . P A 4
H17H H 0.379340 0.719797 0.297688 0.057 Uiso 0.448(6) 1 calc GR . P A 4
H17I H 0.271060 0.676118 0.286236 0.057 Uiso 0.448(6) 1 calc GR . P A 4


_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
C5 C1 1.441(3) . ?
C5 C4 1.413(3) . ?
C5 C10 1.494(3) . ?
C5 Ru1 2.249(2) . ?
C1 C2 1.423(3) . ?
C1 C6 1.503(3) . ?
C1 Ru1 2.282(2) . ?
C2 C3 1.427(3) . ?
C2 C7 1.495(3) . ?
C2 Ru1 2.330(2) . ?
C3 C4 1.440(3) . ?
C3 C8 1.504(3) . ?
C3 Ru1 2.272(2) . ?
C4 C9 1.493(3) . ?
C4 Ru1 2.252(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C21 H21 0.9800 . ?
C21 C22 1.539(3) . ?
C21 C26 1.543(3) . ?
C21 P5 1.869(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.523(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.520(3) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.526(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.529(3) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 H27 0.9800 . ?
C27 C28 1.528(3) . ?
C27 C32 1.528(3) . ?
C27 P5 1.8684(19) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.529(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.514(4) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.519(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.532(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 H33 0.9800 . ?
C33 C34 1.536(3) . ?
C33 C38 1.536(3) . ?
C33 P5 1.866(2) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.530(3) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.521(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.527(3) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.526(3) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C15B C14B 1.4200 . ?
C15B C11B 1.4200 . ?
C15B Ru2 2.222(5) . ?
C15B C20B 1.491(8) . ?
C14B C13B 1.4200 . ?
C14B C19B 1.513(6) . ?
C14B Ru2 2.268(4) . ?
C13B C12B 1.4200 . ?
C13B C18B 1.518(6) . ?
C13B Ru2 2.263(4) . ?
C12B C11B 1.4200 . ?
C12B C17B 1.500(6) . ?
C12B Ru2 2.213(4) . ?
C11B Ru2 2.187(4) . ?
C11B C16B 1.488(7) . ?
C17B H17A 0.9600 . ?
C17B H17B 0.9600 . ?
C17B H17C 0.9600 . ?
C18B H18A 0.9600 . ?
C18B H18B 0.9600 . ?
C18B H18C 0.9600 . ?
C19B H19A 0.9600 . ?
C19B H19B 0.9600 . ?
C19B H19C 0.9600 . ?
Cl1 P1 2.1188(7) . ?
Cl2 P2 2.1115(7) . ?
P1 P2 2.5164(7) . ?
P1 P4 2.1641(8) . ?
P1 Ru1 2.2927(5) . ?
P1 Ru2 2.3509(5) . ?
P2 P3 2.1717(8) . ?
P2 Ru1 2.2876(6) . ?
P2 Ru2 2.3295(5) . ?
P3 P4 2.1567(8) . ?
P3 Ru2 2.4497(6) . ?
P4 Ru2 2.4259(5) . ?
P5 Ru1 2.3918(5) . ?
Ru2 C14A 2.207(12) . ?
Ru2 C13A 2.204(12) . ?
Ru2 C12A 2.212(13) . ?
Ru2 C11A 2.221(13) . ?
Ru2 C15A 2.217(12) . ?
Ru2 C11C 2.217(4) . ?
Ru2 C15C 2.215(4) . ?
Ru2 C14C 2.234(4) . ?
Ru2 C13C 2.247(4) . ?
Ru2 C12C 2.236(4) . ?
C20B H20A 0.9600 . ?
C20B H20B 0.9600 . ?
C20B H20C 0.9600 . ?
C16B H16A 0.9600 . ?
C16B H16B 0.9600 . ?
C16B H16C 0.9600 . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?
C19A C14A 1.534(12) . ?
C14A C13A 1.4200 . ?
C14A C15A 1.4200 . ?
C13A C12A 1.4200 . ?
C13A C18A 1.498(12) . ?
C12A C11A 1.4200 . ?
C12A C17A 1.483(12) . ?
C11A C15A 1.4200 . ?
C11A C16A 1.503(12) . ?
C15A C20A 1.524(12) . ?
C18A H18D 0.9600 . ?
C18A H18E 0.9600 . ?
C18A H18F 0.9600 . ?
C17A H17D 0.9600 . ?
C17A H17E 0.9600 . ?
C17A H17F 0.9600 . ?
C16A H16D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16F 0.9600 . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
O1 C40 1.387(4) . ?
O1 C39 1.412(4) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C40 1.485(4) . ?
C41 O2 1.414(4) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
O2 C42 1.395(4) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C11C C15C 1.4200 . ?
C11C C12C 1.4200 . ?
C11C C16C 1.509(7) . ?
C15C C14C 1.4200 . ?
C15C C20C 1.491(7) . ?
C14C C13C 1.4200 . ?
C14C C19C 1.488(6) . ?
C13C C12C 1.4200 . ?
C13C C18C 1.504(6) . ?
C12C C17C 1.530(6) . ?
C18C H18G 0.9600 . ?
C18C H18H 0.9600 . ?
C18C H18I 0.9600 . ?
C19C H19G 0.9600 . ?
C19C H19H 0.9600 . ?
C19C H19I 0.9600 . ?
C20C H20G 0.9600 . ?
C20C H20H 0.9600 . ?
C20C H20I 0.9600 . ?
C16C H16G 0.9600 . ?
C16C H16H 0.9600 . ?
C16C H16I 0.9600 . ?
C17C H17G 0.9600 . ?
C17C H17H 0.9600 . ?
C17C H17I 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 C5 C10 126.0(2) . . ?
C1 C5 Ru1 72.71(12) . . ?
C4 C5 C1 108.27(18) . . ?
C4 C5 C10 125.1(2) . . ?
C4 C5 Ru1 71.80(12) . . ?
C10 C5 Ru1 128.50(16) . . ?
C5 C1 C6 122.82(19) . . ?
C5 C1 Ru1 70.22(12) . . ?
C2 C1 C5 107.43(18) . . ?
C2 C1 C6 128.5(2) . . ?
C2 C1 Ru1 73.87(12) . . ?
C6 C1 Ru1 131.10(15) . . ?
C1 C2 C3 108.58(18) . . ?
C1 C2 C7 125.7(2) . . ?
C1 C2 Ru1 70.21(12) . . ?
C3 C2 C7 124.73(19) . . ?
C3 C2 Ru1 69.75(12) . . ?
C7 C2 Ru1 134.91(15) . . ?
C2 C3 C4 107.40(18) . . ?
C2 C3 C8 127.4(2) . . ?
C2 C3 Ru1 74.16(12) . . ?
C4 C3 C8 123.48(19) . . ?
C4 C3 Ru1 70.67(12) . . ?
C8 C3 Ru1 132.01(16) . . ?
C5 C4 C3 108.19(18) . . ?
C5 C4 C9 125.5(2) . . ?
C5 C4 Ru1 71.62(12) . . ?
C3 C4 C9 125.6(2) . . ?
C3 C4 Ru1 72.22(12) . . ?
C9 C4 Ru1 129.55(16) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C22 C21 H21 105.3 . . ?
C22 C21 C26 109.72(16) . . ?
C22 C21 P5 112.14(14) . . ?
C26 C21 H21 105.3 . . ?
C26 C21 P5 117.92(14) . . ?
P5 C21 H21 105.3 . . ?
C21 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C21 112.20(17) . . ?
C23 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 C22 111.13(17) . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C23 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C23 C24 C25 110.27(17) . . ?
H24A C24 H24B 108.1 . . ?
C25 C24 H24A 109.6 . . ?
C25 C24 H24B 109.6 . . ?
C24 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C24 C25 C26 111.44(18) . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
C21 C26 H26A 109.6 . . ?
C21 C26 H26B 109.6 . . ?
C25 C26 C21 110.42(17) . . ?
C25 C26 H26A 109.6 . . ?
C25 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
C28 C27 H27 107.4 . . ?
C28 C27 C32 109.89(17) . . ?
C28 C27 P5 110.73(14) . . ?
C32 C27 H27 107.4 . . ?
C32 C27 P5 113.80(15) . . ?
P5 C27 H27 107.4 . . ?
C27 C28 H28A 109.2 . . ?
C27 C28 H28B 109.2 . . ?
C27 C28 C29 112.14(17) . . ?
H28A C28 H28B 107.9 . . ?
C29 C28 H28A 109.2 . . ?
C29 C28 H28B 109.2 . . ?
C28 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C30 C29 C28 110.2(2) . . ?
C30 C29 H29A 109.6 . . ?
C30 C29 H29B 109.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 C31 110.7(2) . . ?
H30A C30 H30B 108.1 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C30 C31 H31A 109.2 . . ?
C30 C31 H31B 109.2 . . ?
C30 C31 C32 111.92(19) . . ?
H31A C31 H31B 107.9 . . ?
C32 C31 H31A 109.2 . . ?
C32 C31 H31B 109.2 . . ?
C27 C32 C31 110.66(19) . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 108.1 . . ?
C34 C33 H33 105.0 . . ?
C34 C33 C38 109.79(16) . . ?
C34 C33 P5 116.43(15) . . ?
C38 C33 H33 105.0 . . ?
C38 C33 P5 114.41(14) . . ?
P5 C33 H33 105.0 . . ?
C33 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C35 C34 C33 111.05(18) . . ?
C35 C34 H34A 109.4 . . ?
C35 C34 H34B 109.4 . . ?
C34 C35 H35A 109.3 . . ?
C34 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
C36 C35 C34 111.58(18) . . ?
C36 C35 H35A 109.3 . . ?
C36 C35 H35B 109.3 . . ?
C35 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
C35 C36 C37 111.29(18) . . ?
H36A C36 H36B 108.0 . . ?
C37 C36 H36A 109.4 . . ?
C37 C36 H36B 109.4 . . ?
C36 C37 H37A 109.4 . . ?
C36 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C38 C37 C36 111.14(18) . . ?
C38 C37 H37A 109.4 . . ?
C38 C37 H37B 109.4 . . ?
C33 C38 H38A 109.4 . . ?
C33 C38 H38B 109.4 . . ?
C37 C38 C33 110.98(17) . . ?
C37 C38 H38A 109.4 . . ?
C37 C38 H38B 109.4 . . ?
H38A C38 H38B 108.0 . . ?
C14B C15B Ru2 73.34(17) . . ?
C14B C15B C20B 123.3(10) . . ?
C11B C15B C14B 108.0 . . ?
C11B C15B Ru2 69.88(17) . . ?
C11B C15B C20B 128.6(10) . . ?
C20B C15B Ru2 125.5(6) . . ?
C15B C14B C19B 129.1(10) . . ?
C15B C14B Ru2 69.81(17) . . ?
C13B C14B C15B 108.0 . . ?
C13B C14B C19B 122.8(10) . . ?
C13B C14B Ru2 71.51(16) . . ?
C19B C14B Ru2 127.3(4) . . ?
C14B C13B C12B 108.0 . . ?
C14B C13B C18B 127.0(10) . . ?
C14B C13B Ru2 71.96(17) . . ?
C12B C13B C18B 124.1(11) . . ?
C12B C13B Ru2 69.60(16) . . ?
C18B C13B Ru2 132.6(4) . . ?
C13B C12B C17B 127.7(11) . . ?
C13B C12B Ru2 73.42(17) . . ?
C11B C12B C13B 108.0 . . ?
C11B C12B C17B 124.1(11) . . ?
C11B C12B Ru2 70.21(17) . . ?
C17B C12B Ru2 125.5(4) . . ?
C15B C11B C12B 108.0 . . ?
C15B C11B Ru2 72.56(17) . . ?
C15B C11B C16B 124.0(11) . . ?
C12B C11B Ru2 72.14(17) . . ?
C12B C11B C16B 127.8(11) . . ?
C16B C11B Ru2 125.0(5) . . ?
C12B C17B H17A 109.5 . . ?
C12B C17B H17B 109.5 . . ?
C12B C17B H17C 109.5 . . ?
H17A C17B H17B 109.5 . . ?
H17A C17B H17C 109.5 . . ?
H17B C17B H17C 109.5 . . ?
C13B C18B H18A 109.5 . . ?
C13B C18B H18B 109.5 . . ?
C13B C18B H18C 109.5 . . ?
H18A C18B H18B 109.5 . . ?
H18A C18B H18C 109.5 . . ?
H18B C18B H18C 109.5 . . ?
C14B C19B H19A 109.5 . . ?
C14B C19B H19B 109.5 . . ?
C14B C19B H19C 109.5 . . ?
H19A C19B H19B 109.5 . . ?
H19A C19B H19C 109.5 . . ?
H19B C19B H19C 109.5 . . ?
Cl1 P1 P2 170.05(3) . . ?
Cl1 P1 P4 100.99(3) . . ?
Cl1 P1 Ru1 122.36(3) . . ?
Cl1 P1 Ru2 118.64(3) . . ?
P4 P1 P2 85.36(3) . . ?
P4 P1 Ru1 128.15(3) . . ?
P4 P1 Ru2 64.85(2) . . ?
Ru1 P1 P2 56.576(17) . . ?
Ru1 P1 Ru2 109.39(2) . . ?
Ru2 P1 P2 57.065(17) . . ?
Cl2 P2 P1 169.18(3) . . ?
Cl2 P2 P3 101.24(3) . . ?
Cl2 P2 Ru1 123.01(3) . . ?
Cl2 P2 Ru2 116.57(3) . . ?
P3 P2 P1 85.10(3) . . ?
P3 P2 Ru1 127.07(3) . . ?
P3 P2 Ru2 65.84(2) . . ?
Ru1 P2 P1 56.772(17) . . ?
Ru1 P2 Ru2 110.33(2) . . ?
Ru2 P2 P1 57.890(17) . . ?
P2 P3 Ru2 60.18(2) . . ?
P4 P3 P2 94.70(3) . . ?
P4 P3 Ru2 63.18(2) . . ?
P1 P4 Ru2 61.31(2) . . ?
P3 P4 P1 94.79(3) . . ?
P3 P4 Ru2 64.32(2) . . ?
C21 P5 Ru1 116.72(6) . . ?
C27 P5 C21 101.38(9) . . ?
C27 P5 Ru1 115.18(7) . . ?
C33 P5 C21 106.13(9) . . ?
C33 P5 C27 100.35(9) . . ?
C33 P5 Ru1 114.97(7) . . ?
C5 Ru1 C1 37.07(8) . . ?
C5 Ru1 C2 60.51(7) . . ?
C5 Ru1 C3 61.46(8) . . ?
C5 Ru1 C4 36.58(8) . . ?
C5 Ru1 P1 90.03(6) . . ?
C5 Ru1 P2 108.75(6) . . ?
C5 Ru1 P5 152.81(6) . . ?
C1 Ru1 C2 35.91(7) . . ?
C1 Ru1 P1 105.77(5) . . ?
C1 Ru1 P2 145.79(5) . . ?
C1 Ru1 P5 115.81(5) . . ?
C2 Ru1 P5 98.33(5) . . ?
C3 Ru1 C1 61.06(7) . . ?
C3 Ru1 C2 36.09(7) . . ?
C3 Ru1 P1 147.83(5) . . ?
C3 Ru1 P2 106.62(6) . . ?
C3 Ru1 P5 112.53(5) . . ?
C4 Ru1 C1 61.33(8) . . ?
C4 Ru1 C2 60.53(7) . . ?
C4 Ru1 C3 37.11(7) . . ?
C4 Ru1 P1 110.86(6) . . ?
C4 Ru1 P2 89.30(6) . . ?
C4 Ru1 P5 149.07(6) . . ?
P1 Ru1 C2 141.56(5) . . ?
P1 Ru1 P5 99.632(19) . . ?
P2 Ru1 C2 142.70(5) . . ?
P2 Ru1 P1 66.651(18) . . ?
P2 Ru1 P5 98.400(19) . . ?
C15B Ru2 C14B 36.85(7) . . ?
C15B Ru2 C13B 61.63(8) . . ?
C15B Ru2 P1 120.64(19) . . ?
C15B Ru2 P2 174.0(2) . . ?
C15B Ru2 P3 123.0(2) . . ?
C15B Ru2 P4 97.88(10) . . ?
C14B Ru2 P1 111.15(12) . . ?
C14B Ru2 P2 145.3(2) . . ?
C14B Ru2 P3 159.21(16) . . ?
C14B Ru2 P4 123.1(3) . . ?
C13B Ru2 C14B 36.53(6) . . ?
C13B Ru2 P1 129.6(3) . . ?
C13B Ru2 P2 116.96(12) . . ?
C13B Ru2 P3 142.3(3) . . ?
C13B Ru2 P4 158.70(16) . . ?
C12B Ru2 C15B 62.40(8) . . ?
C12B Ru2 C14B 61.68(7) . . ?
C12B Ru2 C13B 36.98(6) . . ?
C12B Ru2 P1 165.3(4) . . ?
C12B Ru2 P2 112.68(13) . . ?
C12B Ru2 P3 107.8(2) . . ?
C12B Ru2 P4 140.8(4) . . ?
C11B Ru2 C15B 37.56(7) . . ?
C11B Ru2 C14B 62.05(8) . . ?
C11B Ru2 C13B 62.14(7) . . ?
C11B Ru2 C12B 37.65(6) . . ?
C11B Ru2 P1 153.0(3) . . ?
C11B Ru2 P2 136.4(2) . . ?
C11B Ru2 P3 98.34(9) . . ?
C11B Ru2 P4 105.9(3) . . ?
P1 Ru2 P3 82.952(19) . . ?
P1 Ru2 P4 53.850(19) . . ?
P2 Ru2 P1 65.045(18) . . ?
P2 Ru2 P3 53.98(2) . . ?
P2 Ru2 P4 84.027(19) . . ?
P4 Ru2 P3 52.505(19) . . ?
C14A Ru2 P1 111.4(3) . . ?
C14A Ru2 P2 158.3(11) . . ?
C14A Ru2 P3 147.6(10) . . ?
C14A Ru2 P4 111.7(8) . . ?
C14A Ru2 C12A 62.7(2) . . ?
C14A Ru2 C11A 62.5(2) . . ?
C14A Ru2 C15A 37.45(18) . . ?
C13A Ru2 P1 120.2(4) . . ?
C13A Ru2 P2 123.7(7) . . ?
C13A Ru2 P3 154.8(7) . . ?
C13A Ru2 P4 148.4(9) . . ?
C13A Ru2 C14A 37.56(18) . . ?
C13A Ru2 C12A 37.51(19) . . ?
C13A Ru2 C11A 62.6(2) . . ?
C13A Ru2 C15A 62.6(2) . . ?
C12A Ru2 P1 151.9(7) . . ?
C12A Ru2 P2 109.6(3) . . ?
C12A Ru2 P3 117.3(7) . . ?
C12A Ru2 P4 153.9(7) . . ?
C12A Ru2 C11A 37.4(2) . . ?
C12A Ru2 C15A 62.5(2) . . ?
C11A Ru2 P1 167.4(9) . . ?
C11A Ru2 P2 125.0(7) . . ?
C11A Ru2 P3 97.2(3) . . ?
C11A Ru2 P4 116.6(7) . . ?
C15A Ru2 P1 131.1(8) . . ?
C15A Ru2 P2 159.8(10) . . ?
C15A Ru2 P3 111.2(9) . . ?
C15A Ru2 P4 97.0(3) . . ?
C15A Ru2 C11A 37.32(19) . . ?
C11C Ru2 P1 140.7(2) . . ?
C11C Ru2 P2 145.9(2) . . ?
C11C Ru2 P3 100.22(16) . . ?
C11C Ru2 P4 97.20(12) . . ?
C11C Ru2 C14C 62.16(7) . . ?
C11C Ru2 C13C 61.95(7) . . ?
C11C Ru2 C12C 37.19(6) . . ?
C15C Ru2 P1 115.66(11) . . ?
C15C Ru2 P2 173.3(2) . . ?
C15C Ru2 P3 132.3(3) . . ?
C15C Ru2 P4 101.75(17) . . ?
C15C Ru2 C11C 37.38(6) . . ?
C15C Ru2 C14C 37.22(6) . . ?
C15C Ru2 C13C 61.98(8) . . ?
C15C Ru2 C12C 62.14(7) . . ?
C14C Ru2 P1 116.87(14) . . ?
C14C Ru2 P2 136.2(2) . . ?
C14C Ru2 P3 159.74(10) . . ?
C14C Ru2 P4 134.9(3) . . ?
C14C Ru2 C13C 36.95(6) . . ?
C14C Ru2 C12C 61.86(7) . . ?
C13C Ru2 P1 143.1(3) . . ?
C13C Ru2 P2 113.15(13) . . ?
C13C Ru2 P3 127.6(3) . . ?
C13C Ru2 P4 159.15(12) . . ?
C12C Ru2 P1 177.74(16) . . ?
C12C Ru2 P2 117.20(14) . . ?
C12C Ru2 P3 98.19(15) . . ?
C12C Ru2 P4 125.4(3) . . ?
C12C Ru2 C13C 36.93(6) . . ?
C15B C20B H20A 109.5 . . ?
C15B C20B H20B 109.5 . . ?
C15B C20B H20C 109.5 . . ?
H20A C20B H20B 109.5 . . ?
H20A C20B H20C 109.5 . . ?
H20B C20B H20C 109.5 . . ?
C11B C16B H16A 109.5 . . ?
C11B C16B H16B 109.5 . . ?
C11B C16B H16C 109.5 . . ?
H16A C16B H16B 109.5 . . ?
H16A C16B H16C 109.5 . . ?
H16B C16B H16C 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C14A C19A H19D 109.5 . . ?
C14A C19A H19E 109.5 . . ?
C14A C19A H19F 109.5 . . ?
C19A C14A Ru2 123.5(11) . . ?
C13A C14A Ru2 71.1(5) . . ?
C13A C14A C19A 124(3) . . ?
C13A C14A C15A 108.0 . . ?
C15A C14A Ru2 71.7(5) . . ?
C15A C14A C19A 128(3) . . ?
C14A C13A Ru2 71.3(5) . . ?
C14A C13A C12A 108.0 . . ?
C14A C13A C18A 125(3) . . ?
C12A C13A Ru2 71.6(5) . . ?
C12A C13A C18A 123(3) . . ?
C18A C13A Ru2 139.1(12) . . ?
C13A C12A Ru2 70.9(5) . . ?
C13A C12A C17A 129(3) . . ?
C11A C12A Ru2 71.6(5) . . ?
C11A C12A C13A 108.0 . . ?
C11A C12A C17A 123(3) . . ?
C17A C12A Ru2 128.3(14) . . ?
C12A C11A Ru2 71.0(5) . . ?
C12A C11A C15A 108.0 . . ?
C12A C11A C16A 130(3) . . ?
C15A C11A Ru2 71.2(5) . . ?
C15A C11A C16A 122(3) . . ?
C16A C11A Ru2 126.9(12) . . ?
C14A C15A Ru2 70.9(5) . . ?
C14A C15A C20A 123(3) . . ?
C11A C15A Ru2 71.5(5) . . ?
C11A C15A C14A 108.0 . . ?
C11A C15A C20A 129(3) . . ?
C20A C15A Ru2 123.5(11) . . ?
C13A C18A H18D 109.5 . . ?
C13A C18A H18E 109.5 . . ?
C13A C18A H18F 109.5 . . ?
H18D C18A H18E 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C12A C17A H17D 109.5 . . ?
C12A C17A H17E 109.5 . . ?
C12A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C11A C16A H16D 109.5 . . ?
C11A C16A H16E 109.5 . . ?
C11A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C15A C20A H20D 109.5 . . ?
C15A C20A H20E 109.5 . . ?
C15A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C40 O1 C39 112.6(2) . . ?
H41A C41 H41B 108.4 . . ?
C40 C41 H41A 110.0 . . ?
C40 C41 H41B 110.0 . . ?
O2 C41 H41A 110.0 . . ?
O2 C41 H41B 110.0 . . ?
O2 C41 C40 108.3(2) . . ?
O1 C40 C41 109.0(2) . . ?
O1 C40 H40A 109.9 . . ?
O1 C40 H40B 109.9 . . ?
C41 C40 H40A 109.9 . . ?
C41 C40 H40B 109.9 . . ?
H40A C40 H40B 108.3 . . ?
C42 O2 C41 112.6(3) . . ?
O1 C39 H39A 109.5 . . ?
O1 C39 H39B 109.5 . . ?
O1 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O2 C42 H42A 109.5 . . ?
O2 C42 H42B 109.5 . . ?
O2 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C15C C11C Ru2 71.25(17) . . ?
C15C C11C C12C 108.0 . . ?
C15C C11C C16C 127.9(9) . . ?
C12C C11C Ru2 72.17(16) . . ?
C12C C11C C16C 124.0(9) . . ?
C16C C11C Ru2 126.0(4) . . ?
C11C C15C Ru2 71.37(16) . . ?
C11C C15C C20C 124.4(9) . . ?
C14C C15C Ru2 72.11(16) . . ?
C14C C15C C11C 108.0 . . ?
C14C C15C C20C 127.4(9) . . ?
C20C C15C Ru2 125.7(5) . . ?
C15C C14C Ru2 70.67(16) . . ?
C15C C14C C13C 108.0 . . ?
C15C C14C C19C 125.9(10) . . ?
C13C C14C Ru2 72.03(16) . . ?
C13C C14C C19C 125.3(10) . . ?
C19C C14C Ru2 131.0(4) . . ?
C14C C13C Ru2 71.02(17) . . ?
C14C C13C C18C 127.7(10) . . ?
C12C C13C Ru2 71.13(16) . . ?
C12C C13C C14C 108.0 . . ?
C12C C13C C18C 124.1(10) . . ?
C18C C13C Ru2 127.6(4) . . ?
C11C C12C Ru2 70.65(16) . . ?
C11C C12C C17C 127.0(9) . . ?
C13C C12C Ru2 71.94(16) . . ?
C13C C12C C11C 108.0 . . ?
C13C C12C C17C 125.0(9) . . ?
C17C C12C Ru2 125.4(3) . . ?
C13C C18C H18G 109.5 . . ?
C13C C18C H18H 109.5 . . ?
C13C C18C H18I 109.5 . . ?
H18G C18C H18H 109.5 . . ?
H18G C18C H18I 109.5 . . ?
H18H C18C H18I 109.5 . . ?
C14C C19C H19G 109.5 . . ?
C14C C19C H19H 109.5 . . ?
C14C C19C H19I 109.5 . . ?
H19G C19C H19H 109.5 . . ?
H19G C19C H19I 109.5 . . ?
H19H C19C H19I 109.5 . . ?
C15C C20C H20G 109.5 . . ?
C15C C20C H20H 109.5 . . ?
C15C C20C H20I 109.5 . . ?
H20G C20C H20H 109.5 . . ?
H20G C20C H20I 109.5 . . ?
H20H C20C H20I 109.5 . . ?
C11C C16C H16G 109.5 . . ?
C11C C16C H16H 109.5 . . ?
C11C C16C H16I 109.5 . . ?
H16G C16C H16H 109.5 . . ?
H16G C16C H16I 109.5 . . ?
H16H C16C H16I 109.5 . . ?
C12C C17C H17G 109.5 . . ?
C12C C17C H17H 109.5 . . ?
C12C C17C H17I 109.5 . . ?
H17G C17C H17H 109.5 . . ?
H17G C17C H17I 109.5 . . ?
H17H C17C H17I 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
C5 C1 C2 C3 -3.2(2) . . . . ?
C5 C1 C2 C7 165.7(2) . . . . ?
C5 C1 C2 Ru1 -62.61(14) . . . . ?
C1 C5 C4 C3 0.6(2) . . . . ?
C1 C5 C4 C9 -170.0(2) . . . . ?
C1 C5 C4 Ru1 64.02(15) . . . . ?
C1 C2 C3 C4 3.6(2) . . . . ?
C1 C2 C3 C8 169.1(2) . . . . ?
C1 C2 C3 Ru1 -59.69(15) . . . . ?
C2 C3 C4 C5 -2.6(2) . . . . ?
C2 C3 C4 C9 168.0(2) . . . . ?
C2 C3 C4 Ru1 -65.60(15) . . . . ?
C4 C5 C1 C2 1.6(2) . . . . ?
C4 C5 C1 C6 169.7(2) . . . . ?
C4 C5 C1 Ru1 -63.43(15) . . . . ?
C10 C5 C1 C2 -169.6(2) . . . . ?
C10 C5 C1 C6 -1.4(3) . . . . ?
C10 C5 C1 Ru1 125.4(2) . . . . ?
C10 C5 C4 C3 171.9(2) . . . . ?
C10 C5 C4 C9 1.2(4) . . . . ?
C10 C5 C4 Ru1 -124.7(2) . . . . ?
C6 C1 C2 C3 -170.5(2) . . . . ?
C6 C1 C2 C7 -1.6(4) . . . . ?
C6 C1 C2 Ru1 130.1(2) . . . . ?
C7 C2 C3 C4 -165.4(2) . . . . ?
C7 C2 C3 C8 0.1(4) . . . . ?
C7 C2 C3 Ru1 131.3(2) . . . . ?
C8 C3 C4 C5 -168.8(2) . . . . ?
C8 C3 C4 C9 1.8(4) . . . . ?
C8 C3 C4 Ru1 128.2(2) . . . . ?
C21 C22 C23 C24 56.0(2) . . . . ?
C22 C21 C26 C25 55.6(2) . . . . ?
C22 C21 P5 C27 155.41(14) . . . . ?
C22 C21 P5 C33 51.00(16) . . . . ?
C22 C21 P5 Ru1 -78.62(14) . . . . ?
C22 C23 C24 C25 -56.1(2) . . . . ?
C23 C24 C25 C26 57.7(2) . . . . ?
C24 C25 C26 C21 -57.8(2) . . . . ?
C26 C21 C22 C23 -55.2(2) . . . . ?
C26 C21 P5 C27 26.52(17) . . . . ?
C26 C21 P5 C33 -77.90(16) . . . . ?
C26 C21 P5 Ru1 152.49(13) . . . . ?
C27 C28 C29 C30 -57.1(3) . . . . ?
C28 C27 C32 C31 -55.0(2) . . . . ?
C28 C27 P5 C21 71.18(16) . . . . ?
C28 C27 P5 C33 -179.86(15) . . . . ?
C28 C27 P5 Ru1 -55.80(16) . . . . ?
C28 C29 C30 C31 56.2(3) . . . . ?
C29 C30 C31 C32 -56.7(3) . . . . ?
C30 C31 C32 C27 56.2(3) . . . . ?
C32 C27 C28 C29 56.4(2) . . . . ?
C32 C27 P5 C21 -164.45(15) . . . . ?
C32 C27 P5 C33 -55.49(17) . . . . ?
C32 C27 P5 Ru1 68.57(16) . . . . ?
C33 C34 C35 C36 55.8(2) . . . . ?
C34 C33 C38 C37 57.4(2) . . . . ?
C34 C33 P5 C21 50.02(17) . . . . ?
C34 C33 P5 C27 -55.15(17) . . . . ?
C34 C33 P5 Ru1 -179.35(12) . . . . ?
C34 C35 C36 C37 -54.7(3) . . . . ?
C35 C36 C37 C38 55.2(2) . . . . ?
C36 C37 C38 C33 -56.9(2) . . . . ?
C38 C33 C34 C35 -56.7(2) . . . . ?
C38 C33 P5 C21 -79.82(16) . . . . ?
C38 C33 P5 C27 175.01(15) . . . . ?
C38 C33 P5 Ru1 50.81(16) . . . . ?
C15B C14B C13B C12B 0.0 . . . . ?
C15B C14B C13B C18B 169.1(6) . . . . ?
C15B C14B C13B Ru2 -60.58(16) . . . . ?
C14B C15B C11B C12B 0.0 . . . . ?
C14B C15B C11B Ru2 63.89(16) . . . . ?
C14B C15B C11B C16B -175.3(6) . . . . ?
C14B C13B C12B C11B 0.0 . . . . ?
C14B C13B C12B C17B 175.5(6) . . . . ?
C14B C13B C12B Ru2 -62.08(17) . . . . ?
C13B C12B C11B C15B 0.0 . . . . ?
C13B C12B C11B Ru2 -64.16(17) . . . . ?
C13B C12B C11B C16B 175.0(6) . . . . ?
C11B C15B C14B C13B 0.0 . . . . ?
C11B C15B C14B C19B 176.1(6) . . . . ?
C11B C15B C14B Ru2 -61.66(16) . . . . ?
C17B C12B C11B C15B -175.7(6) . . . . ?
C17B C12B C11B Ru2 120.2(5) . . . . ?
C17B C12B C11B C16B -0.7(8) . . . . ?
C18B C13B C12B C11B -169.5(5) . . . . ?
C18B C13B C12B C17B 6.0(7) . . . . ?
C18B C13B C12B Ru2 128.4(5) . . . . ?
C19B C14B C13B C12B -176.4(5) . . . . ?
C19B C14B C13B C18B -7.3(7) . . . . ?
C19B C14B C13B Ru2 123.0(5) . . . . ?
P5 C21 C22 C23 171.71(14) . . . . ?
P5 C21 C26 C25 -174.40(14) . . . . ?
P5 C27 C28 C29 -177.03(16) . . . . ?
P5 C27 C32 C31 -179.86(16) . . . . ?
P5 C33 C34 C35 171.34(14) . . . . ?
P5 C33 C38 C37 -169.59(15) . . . . ?
Ru1 C5 C1 C2 65.02(15) . . . . ?
Ru1 C5 C1 C6 -126.8(2) . . . . ?
Ru1 C5 C4 C3 -63.39(15) . . . . ?
Ru1 C5 C4 C9 126.0(2) . . . . ?
Ru1 C1 C2 C3 59.40(15) . . . . ?
Ru1 C1 C2 C7 -131.7(2) . . . . ?
Ru1 C2 C3 C4 63.29(15) . . . . ?
Ru1 C2 C3 C8 -131.2(2) . . . . ?
Ru1 C3 C4 C5 63.00(15) . . . . ?
Ru1 C3 C4 C9 -126.4(2) . . . . ?
Ru2 C15B C14B C13B 61.66(16) . . . . ?
Ru2 C15B C14B C19B -122.2(5) . . . . ?
Ru2 C15B C11B C12B -63.89(16) . . . . ?
Ru2 C15B C11B C16B 120.8(6) . . . . ?
Ru2 C14B C13B C12B 60.58(16) . . . . ?
Ru2 C14B C13B C18B -130.3(6) . . . . ?
Ru2 C13B C12B C11B 62.08(17) . . . . ?
Ru2 C13B C12B C17B -122.4(5) . . . . ?
Ru2 C12B C11B C15B 64.16(17) . . . . ?
Ru2 C12B C11B C16B -120.8(6) . . . . ?
Ru2 C14A C13A C12A 62.6(5) . . . . ?
Ru2 C14A C13A C18A -137.5(15) . . . . ?
Ru2 C14A C15A C11A -62.2(5) . . . . ?
Ru2 C14A C15A C20A 118.1(14) . . . . ?
Ru2 C13A C12A C11A 62.4(5) . . . . ?
Ru2 C13A C12A C17A -124.3(19) . . . . ?
Ru2 C12A C11A C15A 62.0(5) . . . . ?
Ru2 C12A C11A C16A -122.7(18) . . . . ?
Ru2 C11A C15A C14A 61.8(5) . . . . ?
Ru2 C11A C15A C20A -118.5(16) . . . . ?
Ru2 C11C C15C C14C 63.23(16) . . . . ?
Ru2 C11C C15C C20C -121.1(6) . . . . ?
Ru2 C11C C12C C13C -62.64(16) . . . . ?
Ru2 C11C C12C C17C 120.3(4) . . . . ?
Ru2 C15C C14C C13C 62.76(16) . . . . ?
Ru2 C15C C14C C19C -127.2(5) . . . . ?
Ru2 C14C C13C C12C 61.88(16) . . . . ?
Ru2 C14C C13C C18C -123.3(5) . . . . ?
Ru2 C13C C12C C11C 61.81(16) . . . . ?
Ru2 C13C C12C C17C -121.0(4) . . . . ?
C20B C15B C14B C13B -176.5(8) . . . . ?
C20B C15B C14B C19B -0.3(9) . . . . ?
C20B C15B C14B Ru2 121.9(7) . . . . ?
C20B C15B C11B C12B 176.2(8) . . . . ?
C20B C15B C11B Ru2 -119.9(7) . . . . ?
C20B C15B C11B C16B 1.0(9) . . . . ?
C19A C14A C13A Ru2 118.2(14) . . . . ?
C19A C14A C13A C12A -179.2(16) . . . . ?
C19A C14A C13A C18A -19(2) . . . . ?
C19A C14A C15A Ru2 -118.6(14) . . . . ?
C19A C14A C15A C11A 179.2(16) . . . . ?
C19A C14A C15A C20A 0(2) . . . . ?
C14A C13A C12A Ru2 -62.4(5) . . . . ?
C14A C13A C12A C11A 0.0 . . . . ?
C14A C13A C12A C17A 173(2) . . . . ?
C13A C14A C15A Ru2 62.2(5) . . . . ?
C13A C14A C15A C11A 0.0 . . . . ?
C13A C14A C15A C20A -179.7(16) . . . . ?
C13A C12A C11A Ru2 -62.0(5) . . . . ?
C13A C12A C11A C15A 0.0 . . . . ?
C13A C12A C11A C16A 175.3(19) . . . . ?
C12A C11A C15A Ru2 -61.8(5) . . . . ?
C12A C11A C15A C14A 0.0 . . . . ?
C12A C11A C15A C20A 179.7(18) . . . . ?
C15A C14A C13A Ru2 -62.6(5) . . . . ?
C15A C14A C13A C12A 0.0 . . . . ?
C15A C14A C13A C18A 159.9(17) . . . . ?
C18A C13A C12A Ru2 137.2(17) . . . . ?
C18A C13A C12A C11A -160.3(18) . . . . ?
C18A C13A C12A C17A 13(2) . . . . ?
C17A C12A C11A Ru2 124.2(17) . . . . ?
C17A C12A C11A C15A -173.8(19) . . . . ?
C17A C12A C11A C16A 2(2) . . . . ?
C16A C11A C15A Ru2 122.4(15) . . . . ?
C16A C11A C15A C14A -175.8(17) . . . . ?
C16A C11A C15A C20A 4(2) . . . . ?
C40 C41 O2 C42 178.0(3) . . . . ?
O2 C41 C40 O1 -177.6(2) . . . . ?
C39 O1 C40 C41 -177.9(2) . . . . ?
C11C C15C C14C Ru2 -62.75(16) . . . . ?
C11C C15C C14C C13C 0.0 . . . . ?
C11C C15C C14C C19C 170.1(5) . . . . ?
C15C C11C C12C Ru2 62.64(16) . . . . ?
C15C C11C C12C C13C 0.0 . . . . ?
C15C C11C C12C C17C -177.1(5) . . . . ?
C15C C14C C13C Ru2 -61.88(16) . . . . ?
C15C C14C C13C C12C 0.0 . . . . ?
C15C C14C C13C C18C 174.8(6) . . . . ?
C14C C13C C12C Ru2 -61.81(16) . . . . ?
C14C C13C C12C C11C 0.0 . . . . ?
C14C C13C C12C C17C 177.2(5) . . . . ?
C12C C11C C15C Ru2 -63.23(16) . . . . ?
C12C C11C C15C C14C 0.0 . . . . ?
C12C C11C C15C C20C 175.7(7) . . . . ?
C18C C13C C12C Ru2 123.2(5) . . . . ?
C18C C13C C12C C11C -175.0(6) . . . . ?
C18C C13C C12C C17C 2.1(7) . . . . ?
C19C C14C C13C Ru2 128.0(5) . . . . ?
C19C C14C C13C C12C -170.2(6) . . . . ?
C19C C14C C13C C18C 4.6(7) . . . . ?
C20C C15C C14C Ru2 121.7(6) . . . . ?
C20C C15C C14C C13C -175.5(7) . . . . ?
C20C C15C C14C C19C -5.5(8) . . . . ?
C16C C11C C15C Ru2 121.5(5) . . . . ?
C16C C11C C15C C14C -175.3(6) . . . . ?
C16C C11C C15C C20C 0.4(8) . . . . ?
C16C C11C C12C Ru2 -121.9(5) . . . . ?
C16C C11C C12C C13C 175.5(6) . . . . ?
C16C C11C C12C C17C -1.6(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-Dimethoxyethane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
