# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_lzy-6-p7-20260518_auto
_database_code_depnum_ccdc_archive 'CCDC 2537157'
loop_
_audit_author_name
_audit_author_address
'Zhaoyang Li'
;Tsinghua university
China
;
_audit_update_record             
;
2026-05-18 deposited with the CCDC.	2026-05-28 downloaded from the CCDC.
;
_audit_creation_date             2026-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C29 H37 Cl N2 O4 Ru)'
_chemical_formula_sum            'C87 H111 Cl3 N6 O12 Ru3'
_chemical_formula_weight         1842.37
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   20.3926(2)
_cell_length_b                   14.92420(10)
_cell_length_c                   55.1682(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.1730(10)
_cell_angle_gamma                90
_cell_volume                     16790.0(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    81405
_cell_measurement_temperature    99.9(4)
_cell_measurement_theta_max      77.7560
_cell_measurement_theta_min      2.2600
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.763
_exptl_absorpt_coefficient_mu    5.708
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.134a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7632
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       68
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            109188
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.388
_diffrn_reflns_theta_min         3.068
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(4)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     30.00  90.00   0.50    0.05    --   47.70-125.00 -90.00  120
  2  ω     76.00 106.00   0.50    0.07    --  106.48-125.00-150.00   60
  3  ω     37.00  62.00   0.50    0.07    --  106.48-125.00-150.00   50
  4  ω     38.00  87.00   0.50    0.07    --  106.48 -99.00-120.00   98
  5  ω     65.00 107.00   0.50    0.07    --  106.48-103.00-126.20   84
  6  ω     51.00  76.00   0.50    0.07    --  106.48-125.00 -30.00   50
  7  ω     87.00 112.00   0.50    0.07    --  106.48-125.00 -30.00   50
  8  ω     47.00 121.00   0.50    0.07    --  106.48-138.00 118.00  148
  9  ω     34.00 111.00   0.50    0.05    --   47.70  57.00  30.00  154
 10  ω     58.00 112.00   0.50    0.05    --   47.70  57.00 -60.00  108
 11  ω     99.00 125.00   0.50    0.07    --  106.48  57.00  60.00   52
 12  ω    133.00 159.00   0.50    0.07    --  106.48   0.00   0.00   52
 13  ω     96.00 168.00   0.50    0.07    --  106.48  19.00 -60.00  144
 14  ω     97.00 133.00   0.50    0.07    --  106.48  19.00-150.00   72
 15  ω    148.00 176.00   0.50    0.07    --  106.48  19.00-150.00   56
 16  ω     35.00  72.00   0.50    0.07    --  106.48   0.00   0.00   74
 17  ω     40.00  65.00   0.50    0.07    --  106.48 -57.00 -60.00   50
 18  ω     34.00 106.00   0.50    0.07    --  106.48 -77.00-120.00  144
 19  ω     96.00 164.00   0.50    0.07    --  106.48 125.00 -90.00  136
 20  ω     80.00 153.00   0.50    0.07    --  106.48 125.00 -30.00  146
 21  ω    -10.00  26.00   0.50    0.05    --  -47.70  19.00 150.00   72
 22  ω     -7.00  24.00   0.50    0.05    --  -47.70  19.00   0.00   62
 23  ω    -12.00  20.00   0.50    0.05    --  -47.70  19.00  30.00   64
 24  ω    -25.00  27.00   0.50    0.05    --  -47.70  19.00 120.00  104
 25  ω    -62.00 -18.00   0.50    0.05    --  -47.70  57.00  90.00   88
 26  ω    -73.00 -35.00   0.50    0.07    -- -104.00 109.00 157.13   76
 27  ω    -85.00 -55.00   0.50    0.07    -- -104.00 125.00  60.00   60
 28  ω   -125.00 -55.00   0.50    0.07    -- -104.00 143.00  63.43  140
 29  ω   -101.00 -35.00   0.50    0.07    -- -104.00 131.00   4.00  132
 30  ω   -125.00 -34.00   0.50    0.07    -- -104.00 143.00 -30.35  182
 31  ω   -111.00 -43.00   0.50    0.07    -- -104.00 125.00 -90.00  136
 32  ω    -65.00 -39.00   0.50    0.07    -- -104.00 125.00-120.00   52
 33  ω   -107.00 -81.00   0.50    0.07    -- -104.00 125.00 -30.00   52
 34  ω    -65.00 -40.00   0.50    0.07    -- -104.00 125.00 -30.00   50
 35  ω   -108.00 -81.00   0.50    0.07    -- -104.00 109.00 157.13   54
 36  ω    -62.00 -33.00   0.50    0.07    -- -104.00  57.00 120.00   58
 37  ω    -63.00 -35.00   0.50    0.07    -- -104.00  57.00   0.00   56
 38  ω    -94.00 -21.00   0.50    0.05    --  -47.70 138.00-179.00  146
 39  ω   -171.00-101.00   0.50    0.07    -- -104.00 -19.00  90.00  140
 40  ω   -175.00 -90.00   0.50    0.07    -- -104.00 -57.00   0.00  170
 41  ω   -170.00-144.00   0.50    0.07    -- -104.00-125.00-120.00   52
 42  ω   -121.00 -85.00   0.50    0.07    -- -104.00-125.00-120.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0379194000
_diffrn_orient_matrix_UB_12      0.0071958000
_diffrn_orient_matrix_UB_13      0.0240345000
_diffrn_orient_matrix_UB_21      -0.0638619000
_diffrn_orient_matrix_UB_22      0.0175974000
_diffrn_orient_matrix_UB_23      -0.0142132000
_diffrn_orient_matrix_UB_31      -0.0137588000
_diffrn_orient_matrix_UB_32      -0.1014592000
_diffrn_orient_matrix_UB_33      -0.0007423000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16236
_reflns_number_total             17450
_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 1.171.43.134a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.134a 64-bit (release 09-08-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.134a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.969
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.093
_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     1027
_refine_ls_number_reflns         17450
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0397P)²+95.4989P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0946
_refine_ls_wR_factor_ref         0.0962
_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 Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b), C3(H3a,H3b), C31(H31a,H31b), C32(H32a,H32b), C60(H60a,H60b),
 C61(H61a,H61b)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16), C35(H35), C36(H36),
 C37(H37), C43(H43), C44(H44), C45(H45), C64(H64), C65(H65), C66(H66), C72(H72),
  C73(H73), C74(H74)
2.c Idealised Me refined as rotating group:
 C10(H10a,H10b,H10c), C11(H11a,H11b,H11c), C18(H18a,H18b,H18c), C19(H19a,H19b,
 H19c), C25(H25a,H25b,H25c), C26(H26a,H26b,H26c), C27(H27a,H27b,H27c), C28(H28a,
 H28b,H28c), C29(H29a,H29b,H29c), C39(H39a,H39b,H39c), C40(H40a,H40b,H40c),
 C47(H47a,H47b,H47c), C48(H48a,H48b,H48c), C54(H54a,H54b,H54c), C55(H55a,H55b,
 H55c), C56(H56a,H56b,H56c), C57(H57a,H57b,H57c), C58(H58a,H58b,H58c), C68(H68a,
 H68b,H68c), C69(H69a,H69b,H69c), C76(H76a,H76b,H76c), C77(H77a,H77b,H77c),
 C83(H83a,H83b,H83c), C84(H84a,H84b,H84c), C85(H85a,H85b,H85c), C86(H86a,H86b,
 H86c), C87(H87a,H87b,H87c)
;
_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 0.11992(2) 0.94472(2) 0.76204(2) 0.01625(6) Uani 1 1 d . . . . .
Cl1 Cl 0.01654(3) 0.91264(5) 0.77996(2) 0.02322(14) Uani 1 1 d . . . . .
O1 O 0.19739(11) 1.21830(15) 0.77511(4) 0.0264(5) Uani 1 1 d . . . . .
O2 O -0.01894(11) 1.12426(15) 0.78173(4) 0.0283(5) Uani 1 1 d . . . . .
O3 O 0.17070(11) 1.05880(16) 0.68253(4) 0.0281(5) Uani 1 1 d . . . . .
O4 O -0.02048(11) 0.97527(15) 0.72241(4) 0.0257(4) Uani 1 1 d . . . . .
N1 N 0.08732(12) 1.07712(15) 0.72034(4) 0.0178(5) Uani 1 1 d . . . . .
N2 N 0.08952(12) 1.14475(16) 0.75480(4) 0.0194(5) Uani 1 1 d . . . . .
C1 C 0.09517(13) 1.06388(18) 0.74449(5) 0.0158(5) Uani 1 1 d . . . . .
C2 C 0.06745(17) 1.1692(2) 0.71389(5) 0.0247(6) Uani 1 1 d . . . . .
H2A H 0.021943 1.170694 0.707598 0.030 Uiso 1 1 calc R U . . .
H2B H 0.097246 1.195279 0.701640 0.030 Uiso 1 1 calc R U . . .
C3 C 0.07303(15) 1.21812(19) 0.73797(5) 0.0209(6) Uani 1 1 d . . . . .
H3A H 0.108115 1.263930 0.737557 0.025 Uiso 1 1 calc R U . . .
H3B H 0.031077 1.247087 0.742415 0.025 Uiso 1 1 calc R U . . .
C4 C 0.07754(14) 1.00825(19) 0.70299(5) 0.0193(6) Uani 1 1 d . . . . .
C5 C 0.02207(15) 0.9534(2) 0.70458(5) 0.0223(6) Uani 1 1 d . . . . .
C6 C 0.01254(17) 0.8842(2) 0.68790(6) 0.0279(7) Uani 1 1 d . . . . .
H6 H -0.023861 0.844888 0.689367 0.033 Uiso 1 1 calc R U . . .
C7 C 0.05695(17) 0.8739(2) 0.66921(6) 0.0302(7) Uani 1 1 d . . . . .
H7 H 0.051247 0.825813 0.658108 0.036 Uiso 1 1 calc R U . . .
C8 C 0.10939(17) 0.9314(2) 0.66623(6) 0.0282(7) Uani 1 1 d . . . . .
H8 H 0.138004 0.925100 0.652787 0.034 Uiso 1 1 calc R U . . .
C9 C 0.11963(15) 0.9992(2) 0.68333(5) 0.0225(6) Uani 1 1 d . . . . .
C10 C 0.21271(17) 1.0536(3) 0.66198(6) 0.0346(8) Uani 1 1 d . . . . .
H10A H 0.187281 1.065458 0.647225 0.052 Uiso 1 1 calc R U . . .
H10B H 0.232043 0.993627 0.661064 0.052 Uiso 1 1 calc R U . . .
H10C H 0.247705 1.098310 0.663529 0.052 Uiso 1 1 calc R U . . .
C11 C -0.07229(18) 0.9139(2) 0.72712(7) 0.0344(8) Uani 1 1 d . . . . .
H11A H -0.104091 0.915854 0.713781 0.052 Uiso 1 1 calc R U . . .
H11B H -0.094073 0.930322 0.742296 0.052 Uiso 1 1 calc R U . . .
H11C H -0.054385 0.853151 0.728540 0.052 Uiso 1 1 calc R U . . .
C12 C 0.09163(15) 1.16090(19) 0.78017(5) 0.0198(6) Uani 1 1 d . . . . .
C13 C 0.14751(15) 1.1983(2) 0.79075(5) 0.0226(6) Uani 1 1 d . . . . .
C14 C 0.14974(17) 1.2136(2) 0.81567(6) 0.0285(7) Uani 1 1 d . . . . .
H14 H 0.187664 1.238899 0.823014 0.034 Uiso 1 1 calc R U . . .
C15 C 0.09550(18) 1.1912(2) 0.82955(6) 0.0310(7) Uani 1 1 d . . . . .
H15 H 0.097683 1.198803 0.846627 0.037 Uiso 1 1 calc R U . . .
C16 C 0.03855(18) 1.1583(2) 0.81938(6) 0.0284(7) Uani 1 1 d . . . . .
H16 H 0.001953 1.143970 0.829262 0.034 Uiso 1 1 calc R U . . .
C17 C 0.03559(16) 1.14637(19) 0.79421(5) 0.0223(6) Uani 1 1 d . . . . .
C18 C 0.25277(18) 1.2647(2) 0.78467(6) 0.0343(8) Uani 1 1 d . . . . .
H18A H 0.282467 1.280654 0.771424 0.051 Uiso 1 1 calc R U . . .
H18B H 0.275821 1.225965 0.796247 0.051 Uiso 1 1 calc R U . . .
H18C H 0.238138 1.319235 0.792916 0.051 Uiso 1 1 calc R U . . .
C19 C -0.07623(18) 1.1023(3) 0.79534(7) 0.0381(8) Uani 1 1 d . . . . .
H19A H -0.111377 1.083972 0.784246 0.057 Uiso 1 1 calc R U . . .
H19B H -0.090370 1.154789 0.804621 0.057 Uiso 1 1 calc R U . . .
H19C H -0.066225 1.052988 0.806493 0.057 Uiso 1 1 calc R U . . .
C20 C 0.17996(15) 0.8610(2) 0.78550(5) 0.0231(6) Uani 1 1 d . . . . .
C21 C 0.21431(14) 0.9417(2) 0.77827(6) 0.0240(6) Uani 1 1 d . . . . .
C22 C 0.22179(14) 0.9397(2) 0.75242(6) 0.0244(6) Uani 1 1 d . . . . .
C23 C 0.18841(15) 0.8615(2) 0.74353(5) 0.0224(6) Uani 1 1 d . . . . .
C24 C 0.16378(15) 0.81261(19) 0.76440(6) 0.0226(6) Uani 1 1 d . . . . .
C25 C 0.1626(2) 0.8364(3) 0.81098(6) 0.0395(9) Uani 1 1 d . . . . .
H25A H 0.158001 0.890950 0.820705 0.059 Uiso 1 1 calc R U . . .
H25B H 0.197427 0.798840 0.817886 0.059 Uiso 1 1 calc R U . . .
H25C H 0.121180 0.803195 0.811039 0.059 Uiso 1 1 calc R U . . .
C26 C 0.24341(19) 1.0078(3) 0.79557(8) 0.0403(9) Uani 1 1 d . . . . .
H26A H 0.255138 1.062564 0.786811 0.060 Uiso 1 1 calc R U . . .
H26B H 0.282793 0.982029 0.803038 0.060 Uiso 1 1 calc R U . . .
H26C H 0.211374 1.022027 0.808198 0.060 Uiso 1 1 calc R U . . .
C27 C 0.25895(18) 1.0053(3) 0.73741(8) 0.0409(9) Uani 1 1 d . . . . .
H27A H 0.237001 1.012742 0.721712 0.061 Uiso 1 1 calc R U . . .
H27B H 0.303645 0.983209 0.734856 0.061 Uiso 1 1 calc R U . . .
H27C H 0.260639 1.063169 0.745802 0.061 Uiso 1 1 calc R U . . .
C28 C 0.18668(19) 0.8285(3) 0.71811(6) 0.0354(8) Uani 1 1 d . . . . .
H28A H 0.141772 0.811014 0.713860 0.053 Uiso 1 1 calc R U . . .
H28B H 0.215768 0.776597 0.716524 0.053 Uiso 1 1 calc R U . . .
H28C H 0.201348 0.876204 0.707180 0.053 Uiso 1 1 calc R U . . .
C29 C 0.12716(18) 0.7249(2) 0.76294(8) 0.0370(8) Uani 1 1 d . . . . .
H29A H 0.101752 0.716206 0.777805 0.056 Uiso 1 1 calc R U . . .
H29B H 0.158528 0.675642 0.761117 0.056 Uiso 1 1 calc R U . . .
H29C H 0.097428 0.725940 0.748956 0.056 Uiso 1 1 calc R U . . .
Ru2 Ru 0.11737(2) 0.60393(2) 0.59212(2) 0.01855(6) Uani 1 1 d . . . . .
Cl2 Cl 0.04105(4) 0.63028(5) 0.62528(2) 0.03181(17) Uani 1 1 d . . . . .
O5 O 0.01554(11) 0.62088(15) 0.56929(4) 0.0278(5) Uani 1 1 d . . . . .
O6 O 0.12691(12) 0.43937(16) 0.51230(4) 0.0325(5) Uani 1 1 d . . . . .
O7 O -0.01468(10) 0.42513(15) 0.62008(4) 0.0250(4) Uani 1 1 d . . . . .
O8 O 0.20455(11) 0.34192(16) 0.61650(4) 0.0275(5) Uani 1 1 d . . . . .
N3 N 0.09399(12) 0.39908(16) 0.59406(4) 0.0184(5) Uani 1 1 d . . . . .
N4 N 0.07811(12) 0.45678(15) 0.55834(4) 0.0172(5) Uani 1 1 d . . . . .
C30 C 0.09268(13) 0.47759(18) 0.58193(5) 0.0160(5) Uani 1 1 d . . . . .
C31 C 0.07288(15) 0.32144(19) 0.57955(5) 0.0199(6) Uani 1 1 d . . . . .
H31A H 0.029998 0.298351 0.585140 0.024 Uiso 1 1 calc R U . . .
H31B H 0.105649 0.272561 0.580279 0.024 Uiso 1 1 calc R U . . .
C32 C 0.06782(18) 0.3599(2) 0.55428(5) 0.0265(7) Uani 1 1 d . . . . .
H32A H 0.102015 0.334802 0.543542 0.032 Uiso 1 1 calc R U . . .
H32B H 0.024131 0.348178 0.547077 0.032 Uiso 1 1 calc R U . . .
C33 C 0.09673(15) 0.3927(2) 0.61981(5) 0.0206(6) Uani 1 1 d . . . . .
C34 C 0.04005(15) 0.40987(19) 0.63330(5) 0.0214(6) Uani 1 1 d . . . . .
C35 C 0.04256(17) 0.4067(2) 0.65863(5) 0.0259(6) Uani 1 1 d . . . . .
H35 H 0.004708 0.419688 0.667985 0.031 Uiso 1 1 calc R U . . .
C36 C 0.10114(17) 0.3842(2) 0.66983(5) 0.0269(7) Uani 1 1 d . . . . .
H36 H 0.103242 0.383869 0.687030 0.032 Uiso 1 1 calc R U . . .
C37 C 0.15694(17) 0.3621(2) 0.65674(5) 0.0254(6) Uani 1 1 d . . . . .
H37 H 0.196295 0.345251 0.664792 0.030 Uiso 1 1 calc R U . . .
C38 C 0.15381(15) 0.3652(2) 0.63147(5) 0.0217(6) Uani 1 1 d . . . . .
C39 C 0.26376(18) 0.3119(3) 0.62759(7) 0.0395(9) Uani 1 1 d . . . . .
H39A H 0.296490 0.299729 0.615044 0.059 Uiso 1 1 calc R U . . .
H39B H 0.255197 0.257025 0.636794 0.059 Uiso 1 1 calc R U . . .
H39C H 0.280328 0.358405 0.638560 0.059 Uiso 1 1 calc R U . . .
C40 C -0.07280(17) 0.4493(2) 0.63296(7) 0.0333(7) Uani 1 1 d . . . . .
H40A H -0.108315 0.461060 0.621385 0.050 Uiso 1 1 calc R U . . .
H40B H -0.064416 0.503287 0.642592 0.050 Uiso 1 1 calc R U . . .
H40C H -0.085496 0.400087 0.643732 0.050 Uiso 1 1 calc R U . . .
C41 C 0.06425(15) 0.52115(19) 0.54029(5) 0.0199(6) Uani 1 1 d . . . . .
C42 C 0.08661(15) 0.5112(2) 0.51635(5) 0.0231(6) Uani 1 1 d . . . . .
C43 C 0.06958(17) 0.5731(2) 0.49837(6) 0.0277(7) Uani 1 1 d . . . . .
H43 H 0.083392 0.563741 0.482128 0.033 Uiso 1 1 calc R U . . .
C44 C 0.03280(18) 0.6476(2) 0.50414(6) 0.0301(7) Uani 1 1 d . . . . .
H44 H 0.019764 0.688087 0.491749 0.036 Uiso 1 1 calc R U . . .
C45 C 0.01493(18) 0.6634(2) 0.52774(6) 0.0330(7) Uani 1 1 d . . . . .
H45 H -0.008122 0.716533 0.531901 0.040 Uiso 1 1 calc R U . . .
C46 C 0.03089(16) 0.6011(2) 0.54541(6) 0.0267(6) Uani 1 1 d . . . . .
C47 C -0.04568(17) 0.5795(3) 0.57665(7) 0.0349(8) Uani 1 1 d . . . . .
H47A H -0.045614 0.516236 0.571914 0.052 Uiso 1 1 calc R U . . .
H47B H -0.082417 0.610222 0.568717 0.052 Uiso 1 1 calc R U . . .
H47C H -0.050353 0.584206 0.594277 0.052 Uiso 1 1 calc R U . . .
C48 C 0.1552(2) 0.4315(3) 0.48883(7) 0.0465(10) Uani 1 1 d . . . . .
H48A H 0.120313 0.426805 0.476647 0.070 Uiso 1 1 calc R U . . .
H48B H 0.182767 0.377698 0.488209 0.070 Uiso 1 1 calc R U . . .
H48C H 0.182103 0.484447 0.485471 0.070 Uiso 1 1 calc R U . . .
C49 C 0.18373(15) 0.7087(2) 0.60626(6) 0.0280(7) Uani 1 1 d . . . . .
C50 C 0.21075(14) 0.6182(2) 0.60828(6) 0.0243(6) Uani 1 1 d . . . . .
C51 C 0.21850(14) 0.5847(2) 0.58397(5) 0.0205(6) Uani 1 1 d . . . . .
C52 C 0.19247(15) 0.6500(2) 0.56768(6) 0.0248(6) Uani 1 1 d . . . . .
C53 C 0.17097(15) 0.7263(2) 0.58175(7) 0.0285(7) Uani 1 1 d . . . . .
C54 C 0.17031(18) 0.7697(3) 0.62702(8) 0.0435(10) Uani 1 1 d . . . . .
H54A H 0.154719 0.734651 0.640869 0.065 Uiso 1 1 calc R U . . .
H54B H 0.136717 0.813410 0.622322 0.065 Uiso 1 1 calc R U . . .
H54C H 0.210680 0.801316 0.631532 0.065 Uiso 1 1 calc R U . . .
C55 C 0.23322(18) 0.5762(3) 0.63126(6) 0.0383(9) Uani 1 1 d . . . . .
H55A H 0.272690 0.606891 0.637090 0.058 Uiso 1 1 calc R U . . .
H55B H 0.243230 0.512819 0.628382 0.058 Uiso 1 1 calc R U . . .
H55C H 0.198557 0.581002 0.643451 0.058 Uiso 1 1 calc R U . . .
C56 C 0.25059(17) 0.4988(2) 0.57677(7) 0.0346(8) Uani 1 1 d . . . . .
H56A H 0.298021 0.508012 0.575423 0.052 Uiso 1 1 calc R U . . .
H56B H 0.233022 0.479057 0.561108 0.052 Uiso 1 1 calc R U . . .
H56C H 0.241786 0.453003 0.589069 0.052 Uiso 1 1 calc R U . . .
C57 C 0.1978(2) 0.6476(3) 0.54062(6) 0.0423(9) Uani 1 1 d . . . . .
H57A H 0.199031 0.585132 0.535136 0.063 Uiso 1 1 calc R U . . .
H57B H 0.238126 0.678096 0.535614 0.063 Uiso 1 1 calc R U . . .
H57C H 0.159859 0.677840 0.533408 0.063 Uiso 1 1 calc R U . . .
C58 C 0.14044(19) 0.8082(3) 0.57087(9) 0.0440(10) Uani 1 1 d . . . . .
H58A H 0.117643 0.842043 0.583522 0.066 Uiso 1 1 calc R U . . .
H58B H 0.109009 0.790392 0.558292 0.066 Uiso 1 1 calc R U . . .
H58C H 0.174674 0.845720 0.563684 0.066 Uiso 1 1 calc R U . . .
Ru3 Ru 0.39994(2) -0.09182(2) 0.56857(2) 0.01583(6) Uani 1 1 d . . . . .
Cl3 Cl 0.49633(3) -0.13884(5) 0.54782(2) 0.02271(14) Uani 1 1 d . . . . .
O9 O 0.30136(11) 0.19230(15) 0.56738(4) 0.0273(5) Uani 1 1 d . . . . .
O10 O 0.50344(11) 0.08804(15) 0.53997(4) 0.0281(5) Uani 1 1 d . . . . .
O11 O 0.40289(11) -0.02987(16) 0.64999(4) 0.0292(5) Uani 1 1 d . . . . .
O12 O 0.56800(11) -0.01936(15) 0.59201(4) 0.0271(5) Uani 1 1 d . . . . .
N5 N 0.41789(13) 0.11168(16) 0.57639(4) 0.0211(5) Uani 1 1 d . . . . .
N6 N 0.45178(12) 0.03623(16) 0.60748(4) 0.0206(5) Uani 1 1 d . . . . .
C59 C 0.42890(13) 0.02726(19) 0.58458(5) 0.0171(5) Uani 1 1 d . . . . .
C60 C 0.43664(17) 0.1827(2) 0.59351(6) 0.0281(7) Uani 1 1 d . . . . .
H60A H 0.398078 0.218287 0.598558 0.034 Uiso 1 1 calc R U . . .
H60B H 0.469855 0.223180 0.586399 0.034 Uiso 1 1 calc R U . . .
C61 C 0.46490(18) 0.1299(2) 0.61464(6) 0.0290(7) Uani 1 1 d . . . . .
H61A H 0.512516 0.140974 0.616497 0.035 Uiso 1 1 calc R U . . .
H61B H 0.442493 0.145127 0.629993 0.035 Uiso 1 1 calc R U . . .
C62 C 0.39962(15) 0.13350(19) 0.55229(5) 0.0203(6) Uani 1 1 d . . . . .
C63 C 0.33997(15) 0.1763(2) 0.54754(5) 0.0234(6) Uani 1 1 d . . . . .
C64 C 0.32222(17) 0.1980(2) 0.52383(6) 0.0299(7) Uani 1 1 d . . . . .
H64 H 0.281174 0.225607 0.520505 0.036 Uiso 1 1 calc R U . . .
C65 C 0.36551(18) 0.1787(2) 0.50515(6) 0.0316(7) Uani 1 1 d . . . . .
H65 H 0.353041 0.191955 0.488933 0.038 Uiso 1 1 calc R U . . .
C66 C 0.42612(17) 0.1408(2) 0.50951(6) 0.0281(7) Uani 1 1 d . . . . .
H66 H 0.455390 0.129333 0.496517 0.034 Uiso 1 1 calc R U . . .
C67 C 0.44385(15) 0.11967(19) 0.53330(6) 0.0221(6) Uani 1 1 d . . . . .
C68 C 0.24133(17) 0.2390(2) 0.56316(7) 0.0337(8) Uani 1 1 d . . . . .
H68A H 0.213288 0.203484 0.552373 0.051 Uiso 1 1 calc R U . . .
H68B H 0.250661 0.297032 0.555609 0.051 Uiso 1 1 calc R U . . .
H68C H 0.218819 0.248575 0.578619 0.051 Uiso 1 1 calc R U . . .
C69 C 0.55225(17) 0.0823(3) 0.52164(7) 0.0347(8) Uani 1 1 d . . . . .
H69A H 0.536659 0.043373 0.508536 0.052 Uiso 1 1 calc R U . . .
H69B H 0.592612 0.057414 0.528580 0.052 Uiso 1 1 calc R U . . .
H69C H 0.561096 0.142291 0.515182 0.052 Uiso 1 1 calc R U . . .
C70 C 0.48390(15) -0.0347(2) 0.62008(5) 0.0218(6) Uani 1 1 d . . . . .
C71 C 0.54406(15) -0.0655(2) 0.61130(5) 0.0225(6) Uani 1 1 d . . . . .
C72 C 0.57586(16) -0.1365(2) 0.62276(6) 0.0268(7) Uani 1 1 d . . . . .
H72 H 0.615650 -0.159701 0.616418 0.032 Uiso 1 1 calc R U . . .
C73 C 0.54866(17) -0.1728(2) 0.64353(6) 0.0307(7) Uani 1 1 d . . . . .
H73 H 0.569874 -0.221807 0.651233 0.037 Uiso 1 1 calc R U . . .
C74 C 0.49133(17) -0.1393(2) 0.65333(6) 0.0285(7) Uani 1 1 d . . . . .
H74 H 0.473999 -0.164086 0.667811 0.034 Uiso 1 1 calc R U . . .
C75 C 0.45919(16) -0.0686(2) 0.64173(5) 0.0243(6) Uani 1 1 d . . . . .
C76 C 0.38008(18) -0.0591(3) 0.67317(6) 0.0363(8) Uani 1 1 d . . . . .
H76A H 0.364834 -0.121255 0.671994 0.054 Uiso 1 1 calc R U . . .
H76B H 0.343817 -0.020732 0.678423 0.054 Uiso 1 1 calc R U . . .
H76C H 0.415964 -0.055450 0.684989 0.054 Uiso 1 1 calc R U . . .
C77 C 0.62265(16) -0.0567(2) 0.57972(7) 0.0327(7) Uani 1 1 d . . . . .
H77A H 0.635109 -0.017563 0.566247 0.049 Uiso 1 1 calc R U . . .
H77B H 0.610954 -0.116046 0.573430 0.049 Uiso 1 1 calc R U . . .
H77C H 0.659604 -0.062403 0.591020 0.049 Uiso 1 1 calc R U . . .
C78 C 0.30487(14) -0.0913(2) 0.58481(5) 0.0215(6) Uani 1 1 d . . . . .
C79 C 0.29949(13) -0.0844(2) 0.55887(5) 0.0211(6) Uani 1 1 d . . . . .
C80 C 0.32634(14) -0.1651(2) 0.54842(5) 0.0223(6) Uani 1 1 d . . . . .
C81 C 0.34917(14) -0.2208(2) 0.56737(6) 0.0221(6) Uani 1 1 d . . . . .
C82 C 0.33820(14) -0.1742(2) 0.59004(5) 0.0208(6) Uani 1 1 d . . . . .
C83 C 0.28078(15) -0.0259(2) 0.60336(6) 0.0271(7) Uani 1 1 d . . . . .
H83A H 0.310258 -0.026527 0.617422 0.041 Uiso 1 1 calc R U . . .
H83B H 0.236498 -0.042864 0.608476 0.041 Uiso 1 1 calc R U . . .
H83C H 0.279824 0.034325 0.596318 0.041 Uiso 1 1 calc R U . . .
C84 C 0.26520(15) -0.0134(2) 0.54449(6) 0.0276(7) Uani 1 1 d . . . . .
H84A H 0.257309 0.038884 0.554817 0.041 Uiso 1 1 calc R U . . .
H84B H 0.223233 -0.036744 0.538524 0.041 Uiso 1 1 calc R U . . .
H84C H 0.292598 0.004071 0.530719 0.041 Uiso 1 1 calc R U . . .
C85 C 0.33043(17) -0.1830(2) 0.52174(6) 0.0312(7) Uani 1 1 d . . . . .
H85A H 0.341549 -0.127370 0.513237 0.047 Uiso 1 1 calc R U . . .
H85B H 0.288043 -0.205181 0.515864 0.047 Uiso 1 1 calc R U . . .
H85C H 0.364369 -0.228006 0.518662 0.047 Uiso 1 1 calc R U . . .
C86 C 0.38094(17) -0.3111(2) 0.56482(7) 0.0308(7) Uani 1 1 d . . . . .
H86A H 0.406247 -0.312978 0.549750 0.046 Uiso 1 1 calc R U . . .
H86B H 0.347042 -0.357632 0.564402 0.046 Uiso 1 1 calc R U . . .
H86C H 0.410268 -0.321635 0.578630 0.046 Uiso 1 1 calc R U . . .
C87 C 0.35329(16) -0.2125(2) 0.61440(6) 0.0272(7) Uani 1 1 d . . . . .
H87A H 0.398759 -0.233729 0.614738 0.041 Uiso 1 1 calc R U . . .
H87B H 0.323650 -0.262728 0.617674 0.041 Uiso 1 1 calc R U . . .
H87C H 0.347368 -0.166213 0.626806 0.041 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.3798(7) . ?
Ru1 C1 2.086(3) . ?
Ru1 C20 2.173(3) . ?
Ru1 C21 2.121(3) . ?
Ru1 C22 2.147(3) . ?
Ru1 C23 2.132(3) . ?
Ru1 C24 2.169(3) . ?
O1 C13 1.369(4) . ?
O1 C18 1.424(4) . ?
O2 C17 1.347(4) . ?
O2 C19 1.429(4) . ?
O3 C9 1.371(4) . ?
O3 C10 1.425(4) . ?
O4 C5 1.354(4) . ?
O4 C11 1.423(4) . ?
N1 C1 1.356(4) . ?
N1 C2 1.475(4) . ?
N1 C4 1.418(3) . ?
N2 C1 1.339(4) . ?
N2 C3 1.474(4) . ?
N2 C12 1.421(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.520(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.399(4) . ?
C4 C9 1.392(4) . ?
C5 C6 1.396(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.383(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.382(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.398(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.395(4) . ?
C12 C17 1.399(4) . ?
C13 C14 1.395(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.379(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.401(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.449(5) . ?
C20 C24 1.408(4) . ?
C20 C25 1.497(4) . ?
C21 C22 1.435(4) . ?
C21 C26 1.494(4) . ?
C22 C23 1.437(5) . ?
C22 C27 1.490(5) . ?
C23 C24 1.454(4) . ?
C23 C28 1.487(4) . ?
C24 C29 1.509(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
Ru2 Cl2 2.4371(8) . ?
Ru2 O5 2.439(2) . ?
Ru2 C30 2.031(3) . ?
Ru2 C49 2.208(3) . ?
Ru2 C50 2.111(3) . ?
Ru2 C51 2.131(3) . ?
Ru2 C52 2.156(3) . ?
Ru2 C53 2.205(3) . ?
O5 C46 1.387(4) . ?
O5 C47 1.452(4) . ?
O6 C42 1.369(4) . ?
O6 C48 1.424(4) . ?
O7 C34 1.351(4) . ?
O7 C40 1.430(4) . ?
O8 C38 1.371(4) . ?
O8 C39 1.424(4) . ?
N3 C30 1.350(4) . ?
N3 C31 1.472(3) . ?
N3 C33 1.425(4) . ?
N4 C30 1.370(3) . ?
N4 C32 1.478(4) . ?
N4 C41 1.411(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.511(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.400(4) . ?
C33 C38 1.390(4) . ?
C34 C35 1.399(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.384(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.389(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.396(4) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.406(4) . ?
C41 C46 1.403(4) . ?
C42 C43 1.399(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.379(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.374(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.385(5) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.462(5) . ?
C49 C53 1.401(5) . ?
C49 C54 1.490(4) . ?
C50 C51 1.440(4) . ?
C50 C55 1.486(5) . ?
C51 C52 1.427(4) . ?
C51 C56 1.493(4) . ?
C52 C53 1.446(5) . ?
C52 C57 1.498(5) . ?
C53 C58 1.496(5) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
Ru3 Cl3 2.3833(7) . ?
Ru3 C59 2.070(3) . ?
Ru3 C78 2.138(3) . ?
Ru3 C79 2.119(3) . ?
Ru3 C80 2.162(3) . ?
Ru3 C81 2.187(3) . ?
Ru3 C82 2.123(3) . ?
O9 C63 1.371(4) . ?
O9 C68 1.427(4) . ?
O10 C67 1.354(4) . ?
O10 C69 1.424(4) . ?
O11 C75 1.365(4) . ?
O11 C76 1.431(4) . ?
O12 C71 1.359(4) . ?
O12 C77 1.420(4) . ?
N5 C59 1.357(4) . ?
N5 C60 1.469(4) . ?
N5 C62 1.418(4) . ?
N6 C59 1.352(4) . ?
N6 C61 1.477(4) . ?
N6 C70 1.424(4) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.519(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.398(4) . ?
C62 C67 1.400(4) . ?
C63 C64 1.394(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.389(5) . ?
C65 H65 0.9500 . ?
C65 C66 1.380(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.396(4) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C71 1.398(4) . ?
C70 C75 1.393(4) . ?
C71 C72 1.393(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.385(5) . ?
C73 H73 0.9500 . ?
C73 C74 1.383(5) . ?
C74 H74 0.9500 . ?
C74 C75 1.396(4) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 C79 1.439(4) . ?
C78 C82 1.440(4) . ?
C78 C83 1.498(4) . ?
C79 C80 1.444(4) . ?
C79 C84 1.495(4) . ?
C80 C81 1.413(4) . ?
C80 C85 1.499(4) . ?
C81 C82 1.449(4) . ?
C81 C86 1.502(4) . ?
C82 C87 1.492(4) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 Cl1 98.68(8) . . ?
C1 Ru1 C20 154.33(12) . . ?
C1 Ru1 C21 115.62(12) . . ?
C1 Ru1 C22 98.48(11) . . ?
C1 Ru1 C23 115.59(11) . . ?
C1 Ru1 C24 154.41(11) . . ?
C20 Ru1 Cl1 97.78(9) . . ?
C21 Ru1 Cl1 128.64(9) . . ?
C21 Ru1 C20 39.41(12) . . ?
C21 Ru1 C22 39.30(12) . . ?
C21 Ru1 C23 66.09(12) . . ?
C21 Ru1 C24 65.26(11) . . ?
C22 Ru1 Cl1 162.71(8) . . ?
C22 Ru1 C20 65.40(12) . . ?
C22 Ru1 C24 65.43(12) . . ?
C23 Ru1 Cl1 131.63(9) . . ?
C23 Ru1 C20 65.29(11) . . ?
C23 Ru1 C22 39.25(12) . . ?
C23 Ru1 C24 39.51(12) . . ?
C24 Ru1 Cl1 99.09(9) . . ?
C24 Ru1 C20 37.86(11) . . ?
C13 O1 C18 117.6(2) . . ?
C17 O2 C19 117.6(3) . . ?
C9 O3 C10 116.7(3) . . ?
C5 O4 C11 117.1(3) . . ?
C1 N1 C2 113.9(2) . . ?
C1 N1 C4 125.0(2) . . ?
C4 N1 C2 118.3(2) . . ?
C1 N2 C3 114.9(2) . . ?
C1 N2 C12 124.7(2) . . ?
C12 N2 C3 120.1(2) . . ?
N1 C1 Ru1 127.45(19) . . ?
N2 C1 Ru1 126.3(2) . . ?
N2 C1 N1 106.0(2) . . ?
N1 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
N1 C2 C3 102.5(2) . . ?
H2A C2 H2B 109.2 . . ?
C3 C2 H2A 111.3 . . ?
C3 C2 H2B 111.3 . . ?
N2 C3 C2 102.1(2) . . ?
N2 C3 H3A 111.3 . . ?
N2 C3 H3B 111.3 . . ?
C2 C3 H3A 111.3 . . ?
C2 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
C5 C4 N1 119.6(3) . . ?
C9 C4 N1 120.7(3) . . ?
C9 C4 C5 119.5(3) . . ?
O4 C5 C4 115.1(3) . . ?
O4 C5 C6 124.7(3) . . ?
C6 C5 C4 120.2(3) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 C5 118.9(3) . . ?
C7 C6 H6 120.5 . . ?
C6 C7 H7 119.1 . . ?
C8 C7 C6 121.9(3) . . ?
C8 C7 H7 119.1 . . ?
C7 C8 H8 120.5 . . ?
C7 C8 C9 118.9(3) . . ?
C9 C8 H8 120.5 . . ?
O3 C9 C4 115.6(3) . . ?
O3 C9 C8 124.1(3) . . ?
C4 C9 C8 120.3(3) . . ?
O3 C10 H10A 109.5 . . ?
O3 C10 H10B 109.5 . . ?
O3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O4 C11 H11A 109.5 . . ?
O4 C11 H11B 109.5 . . ?
O4 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 N2 120.1(3) . . ?
C13 C12 C17 119.9(3) . . ?
C17 C12 N2 119.8(3) . . ?
O1 C13 C12 115.6(3) . . ?
O1 C13 C14 124.3(3) . . ?
C14 C13 C12 120.1(3) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 H14 120.6 . . ?
C14 C15 H15 118.9 . . ?
C16 C15 C14 122.2(3) . . ?
C16 C15 H15 118.9 . . ?
C15 C16 H16 120.6 . . ?
C15 C16 C17 118.8(3) . . ?
C17 C16 H16 120.6 . . ?
O2 C17 C12 115.4(3) . . ?
O2 C17 C16 124.8(3) . . ?
C12 C17 C16 119.7(3) . . ?
O1 C18 H18A 109.5 . . ?
O1 C18 H18B 109.5 . . ?
O1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 Ru1 68.34(16) . . ?
C21 C20 C25 125.3(3) . . ?
C24 C20 Ru1 70.90(16) . . ?
C24 C20 C21 108.1(3) . . ?
C24 C20 C25 126.5(3) . . ?
C25 C20 Ru1 124.5(2) . . ?
C20 C21 Ru1 72.25(16) . . ?
C20 C21 C26 124.3(3) . . ?
C22 C21 Ru1 71.34(16) . . ?
C22 C21 C20 108.1(3) . . ?
C22 C21 C26 127.2(3) . . ?
C26 C21 Ru1 127.8(2) . . ?
C21 C22 Ru1 69.36(16) . . ?
C21 C22 C23 107.7(3) . . ?
C21 C22 C27 126.5(3) . . ?
C23 C22 Ru1 69.81(16) . . ?
C23 C22 C27 125.8(3) . . ?
C27 C22 Ru1 127.5(2) . . ?
C22 C23 Ru1 70.94(16) . . ?
C22 C23 C24 107.6(3) . . ?
C22 C23 C28 126.9(3) . . ?
C24 C23 Ru1 71.61(16) . . ?
C24 C23 C28 125.0(3) . . ?
C28 C23 Ru1 129.1(2) . . ?
C20 C24 Ru1 71.24(16) . . ?
C20 C24 C23 108.4(3) . . ?
C20 C24 C29 127.1(3) . . ?
C23 C24 Ru1 68.88(16) . . ?
C23 C24 C29 124.4(3) . . ?
C29 C24 Ru1 125.6(2) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Cl2 Ru2 O5 79.99(6) . . ?
C30 Ru2 Cl2 101.49(8) . . ?
C30 Ru2 O5 75.12(9) . . ?
C30 Ru2 C49 154.99(12) . . ?
C30 Ru2 C50 115.67(12) . . ?
C30 Ru2 C51 93.20(11) . . ?
C30 Ru2 C52 107.41(11) . . ?
C30 Ru2 C53 145.08(12) . . ?
C49 Ru2 Cl2 90.73(8) . . ?
C49 Ru2 O5 128.97(11) . . ?
C50 Ru2 Cl2 104.13(9) . . ?
C50 Ru2 O5 166.74(11) . . ?
C50 Ru2 C49 39.50(13) . . ?
C50 Ru2 C51 39.69(11) . . ?
C50 Ru2 C52 65.81(12) . . ?
C50 Ru2 C53 65.08(13) . . ?
C51 Ru2 Cl2 143.18(8) . . ?
C51 Ru2 O5 136.71(10) . . ?
C51 Ru2 C49 65.01(11) . . ?
C51 Ru2 C52 38.89(12) . . ?
C51 Ru2 C53 64.92(12) . . ?
C52 Ru2 Cl2 150.95(9) . . ?
C52 Ru2 O5 104.43(10) . . ?
C52 Ru2 C49 63.85(12) . . ?
C52 Ru2 C53 38.71(12) . . ?
C53 Ru2 Cl2 112.29(9) . . ?
C53 Ru2 O5 101.66(10) . . ?
C53 Ru2 C49 37.02(13) . . ?
C46 O5 Ru2 105.92(19) . . ?
C46 O5 C47 111.8(3) . . ?
C47 O5 Ru2 122.90(19) . . ?
C42 O6 C48 117.3(3) . . ?
C34 O7 C40 117.3(2) . . ?
C38 O8 C39 117.5(2) . . ?
C30 N3 C31 114.1(2) . . ?
C30 N3 C33 123.6(2) . . ?
C33 N3 C31 120.0(2) . . ?
C30 N4 C32 113.3(2) . . ?
C30 N4 C41 123.9(2) . . ?
C41 N4 C32 122.0(2) . . ?
N3 C30 Ru2 131.6(2) . . ?
N3 C30 N4 106.2(2) . . ?
N4 C30 Ru2 121.77(19) . . ?
N3 C31 H31A 111.2 . . ?
N3 C31 H31B 111.2 . . ?
N3 C31 C32 102.8(2) . . ?
H31A C31 H31B 109.1 . . ?
C32 C31 H31A 111.2 . . ?
C32 C31 H31B 111.2 . . ?
N4 C32 C31 102.9(2) . . ?
N4 C32 H32A 111.2 . . ?
N4 C32 H32B 111.2 . . ?
C31 C32 H32A 111.2 . . ?
C31 C32 H32B 111.2 . . ?
H32A C32 H32B 109.1 . . ?
C34 C33 N3 119.2(3) . . ?
C38 C33 N3 120.8(3) . . ?
C38 C33 C34 120.0(3) . . ?
O7 C34 C33 115.2(3) . . ?
O7 C34 C35 124.9(3) . . ?
C35 C34 C33 119.8(3) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 C34 118.9(3) . . ?
C36 C35 H35 120.6 . . ?
C35 C36 H36 118.9 . . ?
C35 C36 C37 122.2(3) . . ?
C37 C36 H36 118.9 . . ?
C36 C37 H37 120.8 . . ?
C36 C37 C38 118.4(3) . . ?
C38 C37 H37 120.8 . . ?
O8 C38 C33 115.4(3) . . ?
O8 C38 C37 124.1(3) . . ?
C33 C38 C37 120.5(3) . . ?
O8 C39 H39A 109.5 . . ?
O8 C39 H39B 109.5 . . ?
O8 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O7 C40 H40A 109.5 . . ?
O7 C40 H40B 109.5 . . ?
O7 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 N4 121.7(3) . . ?
C46 C41 N4 122.2(3) . . ?
C46 C41 C42 116.0(3) . . ?
O6 C42 C41 115.6(3) . . ?
O6 C42 C43 123.3(3) . . ?
C43 C42 C41 121.1(3) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.2(3) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 120.4 . . ?
C44 C45 C46 119.3(3) . . ?
C46 C45 H45 120.4 . . ?
O5 C46 C41 118.9(3) . . ?
C45 C46 O5 118.2(3) . . ?
C45 C46 C41 122.9(3) . . ?
O5 C47 H47A 109.5 . . ?
O5 C47 H47B 109.5 . . ?
O5 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O6 C48 H48A 109.5 . . ?
O6 C48 H48B 109.5 . . ?
O6 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 Ru2 66.66(16) . . ?
C50 C49 C54 125.2(3) . . ?
C53 C49 Ru2 71.34(17) . . ?
C53 C49 C50 108.4(3) . . ?
C53 C49 C54 126.4(3) . . ?
C54 C49 Ru2 126.2(2) . . ?
C49 C50 Ru2 73.84(17) . . ?
C49 C50 C55 124.8(3) . . ?
C51 C50 Ru2 70.92(16) . . ?
C51 C50 C49 107.0(3) . . ?
C51 C50 C55 127.8(3) . . ?
C55 C50 Ru2 126.4(2) . . ?
C50 C51 Ru2 69.39(16) . . ?
C50 C51 C56 126.5(3) . . ?
C52 C51 Ru2 71.49(17) . . ?
C52 C51 C50 107.9(3) . . ?
C52 C51 C56 125.6(3) . . ?
C56 C51 Ru2 126.6(2) . . ?
C51 C52 Ru2 69.62(16) . . ?
C51 C52 C53 108.2(3) . . ?
C51 C52 C57 125.6(3) . . ?
C53 C52 Ru2 72.45(18) . . ?
C53 C52 C57 125.3(3) . . ?
C57 C52 Ru2 132.0(2) . . ?
C49 C53 Ru2 71.64(18) . . ?
C49 C53 C52 108.3(3) . . ?
C49 C53 C58 128.0(3) . . ?
C52 C53 Ru2 68.84(16) . . ?
C52 C53 C58 123.6(3) . . ?
C58 C53 Ru2 125.1(2) . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C59 Ru3 Cl3 102.89(8) . . ?
C59 Ru3 C78 94.36(11) . . ?
C59 Ru3 C79 109.71(11) . . ?
C59 Ru3 C80 148.27(11) . . ?
C59 Ru3 C81 154.60(11) . . ?
C59 Ru3 C82 115.34(11) . . ?
C78 Ru3 Cl3 162.26(9) . . ?
C78 Ru3 C80 65.69(11) . . ?
C78 Ru3 C81 65.54(12) . . ?
C79 Ru3 Cl3 133.82(9) . . ?
C79 Ru3 C78 39.51(11) . . ?
C79 Ru3 C80 39.42(12) . . ?
C79 Ru3 C81 65.24(12) . . ?
C79 Ru3 C82 66.21(11) . . ?
C80 Ru3 Cl3 100.16(8) . . ?
C80 Ru3 C81 37.91(12) . . ?
C81 Ru3 Cl3 96.74(8) . . ?
C82 Ru3 Cl3 126.07(9) . . ?
C82 Ru3 C78 39.49(12) . . ?
C82 Ru3 C80 65.29(11) . . ?
C82 Ru3 C81 39.26(11) . . ?
C63 O9 C68 116.7(2) . . ?
C67 O10 C69 117.2(3) . . ?
C75 O11 C76 116.4(3) . . ?
C71 O12 C77 117.3(3) . . ?
C59 N5 C60 114.4(2) . . ?
C59 N5 C62 124.6(2) . . ?
C62 N5 C60 120.3(2) . . ?
C59 N6 C61 113.9(2) . . ?
C59 N6 C70 122.6(2) . . ?
C70 N6 C61 119.3(2) . . ?
N5 C59 Ru3 127.5(2) . . ?
N6 C59 Ru3 125.5(2) . . ?
N6 C59 N5 106.0(2) . . ?
N5 C60 H60A 111.3 . . ?
N5 C60 H60B 111.3 . . ?
N5 C60 C61 102.5(2) . . ?
H60A C60 H60B 109.2 . . ?
C61 C60 H60A 111.3 . . ?
C61 C60 H60B 111.3 . . ?
N6 C61 C60 102.6(2) . . ?
N6 C61 H61A 111.3 . . ?
N6 C61 H61B 111.3 . . ?
C60 C61 H61A 111.3 . . ?
C60 C61 H61B 111.3 . . ?
H61A C61 H61B 109.2 . . ?
C63 C62 N5 120.5(3) . . ?
C63 C62 C67 119.3(3) . . ?
C67 C62 N5 120.0(3) . . ?
O9 C63 C62 115.5(3) . . ?
O9 C63 C64 124.1(3) . . ?
C64 C63 C62 120.4(3) . . ?
C63 C64 H64 120.5 . . ?
C65 C64 C63 118.9(3) . . ?
C65 C64 H64 120.5 . . ?
C64 C65 H65 119.1 . . ?
C66 C65 C64 121.8(3) . . ?
C66 C65 H65 119.1 . . ?
C65 C66 H66 120.5 . . ?
C65 C66 C67 119.1(3) . . ?
C67 C66 H66 120.5 . . ?
O10 C67 C62 115.3(3) . . ?
O10 C67 C66 124.3(3) . . ?
C66 C67 C62 120.3(3) . . ?
O9 C68 H68A 109.5 . . ?
O9 C68 H68B 109.5 . . ?
O9 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
O10 C69 H69A 109.5 . . ?
O10 C69 H69B 109.5 . . ?
O10 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C71 C70 N6 118.5(3) . . ?
C75 C70 N6 121.5(3) . . ?
C75 C70 C71 119.8(3) . . ?
O12 C71 C70 115.0(3) . . ?
O12 C71 C72 124.9(3) . . ?
C72 C71 C70 120.0(3) . . ?
C71 C72 H72 120.5 . . ?
C73 C72 C71 119.1(3) . . ?
C73 C72 H72 120.5 . . ?
C72 C73 H73 119.2 . . ?
C74 C73 C72 121.6(3) . . ?
C74 C73 H73 119.2 . . ?
C73 C74 H74 120.3 . . ?
C73 C74 C75 119.4(3) . . ?
C75 C74 H74 120.3 . . ?
O11 C75 C70 116.0(3) . . ?
O11 C75 C74 124.1(3) . . ?
C70 C75 C74 119.8(3) . . ?
O11 C76 H76A 109.5 . . ?
O11 C76 H76B 109.5 . . ?
O11 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O12 C77 H77A 109.5 . . ?
O12 C77 H77B 109.5 . . ?
O12 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C79 C78 Ru3 69.51(16) . . ?
C79 C78 C82 107.2(3) . . ?
C79 C78 C83 127.5(3) . . ?
C82 C78 Ru3 69.69(16) . . ?
C82 C78 C83 125.3(3) . . ?
C83 C78 Ru3 126.0(2) . . ?
C78 C79 Ru3 70.98(16) . . ?
C78 C79 C80 108.0(3) . . ?
C78 C79 C84 127.8(3) . . ?
C80 C79 Ru3 71.91(16) . . ?
C80 C79 C84 123.8(3) . . ?
C84 C79 Ru3 128.4(2) . . ?
C79 C80 Ru3 68.66(15) . . ?
C79 C80 C85 124.2(3) . . ?
C81 C80 Ru3 71.99(16) . . ?
C81 C80 C79 108.7(3) . . ?
C81 C80 C85 127.1(3) . . ?
C85 C80 Ru3 123.7(2) . . ?
C80 C81 Ru3 70.10(16) . . ?
C80 C81 C82 107.7(3) . . ?
C80 C81 C86 126.8(3) . . ?
C82 C81 Ru3 68.00(16) . . ?
C82 C81 C86 125.4(3) . . ?
C86 C81 Ru3 126.0(2) . . ?
C78 C82 Ru3 70.82(16) . . ?
C78 C82 C81 108.3(3) . . ?
C78 C82 C87 127.3(3) . . ?
C81 C82 Ru3 72.74(16) . . ?
C81 C82 C87 124.2(3) . . ?
C87 C82 Ru3 127.1(2) . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
C78 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C79 C84 H84A 109.5 . . ?
C79 C84 H84B 109.5 . . ?
C79 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C80 C85 H85A 109.5 . . ?
C80 C85 H85B 109.5 . . ?
C80 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C81 C86 H86A 109.5 . . ?
C81 C86 H86B 109.5 . . ?
C81 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C82 C87 H87A 109.5 . . ?
C82 C87 H87B 109.5 . . ?
C82 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 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
Ru1 C20 C21 C22 -62.76(19) . . . . ?
Ru1 C20 C21 C26 124.2(3) . . . . ?
Ru1 C20 C24 C23 59.0(2) . . . . ?
Ru1 C20 C24 C29 -120.9(3) . . . . ?
Ru1 C21 C22 C23 -59.5(2) . . . . ?
Ru1 C21 C22 C27 122.0(3) . . . . ?
Ru1 C22 C23 C24 -62.6(2) . . . . ?
Ru1 C22 C23 C28 125.2(3) . . . . ?
Ru1 C23 C24 C20 -60.5(2) . . . . ?
Ru1 C23 C24 C29 119.4(3) . . . . ?
O1 C13 C14 C15 179.3(3) . . . . ?
O4 C5 C6 C7 174.2(3) . . . . ?
N1 C2 C3 N2 -4.8(3) . . . . ?
N1 C4 C5 O4 3.6(4) . . . . ?
N1 C4 C5 C6 -178.7(3) . . . . ?
N1 C4 C9 O3 1.7(4) . . . . ?
N1 C4 C9 C8 -179.6(3) . . . . ?
N2 C12 C13 O1 0.9(4) . . . . ?
N2 C12 C13 C14 -179.6(3) . . . . ?
N2 C12 C17 O2 -5.2(4) . . . . ?
N2 C12 C17 C16 177.0(3) . . . . ?
C1 N1 C2 C3 7.8(3) . . . . ?
C1 N1 C4 C5 61.8(4) . . . . ?
C1 N1 C4 C9 -123.4(3) . . . . ?
C1 N2 C3 C2 1.0(3) . . . . ?
C1 N2 C12 C13 104.8(3) . . . . ?
C1 N2 C12 C17 -80.7(4) . . . . ?
C2 N1 C1 Ru1 178.0(2) . . . . ?
C2 N1 C1 N2 -7.3(3) . . . . ?
C2 N1 C4 C5 -97.8(3) . . . . ?
C2 N1 C4 C9 77.0(4) . . . . ?
C3 N2 C1 Ru1 178.5(2) . . . . ?
C3 N2 C1 N1 3.7(3) . . . . ?
C3 N2 C12 C13 -82.3(4) . . . . ?
C3 N2 C12 C17 92.3(3) . . . . ?
C4 N1 C1 Ru1 17.6(4) . . . . ?
C4 N1 C1 N2 -167.7(3) . . . . ?
C4 N1 C2 C3 169.6(3) . . . . ?
C4 C5 C6 C7 -3.2(4) . . . . ?
C5 C4 C9 O3 176.6(3) . . . . ?
C5 C4 C9 C8 -4.8(4) . . . . ?
C5 C6 C7 C8 -1.8(5) . . . . ?
C6 C7 C8 C9 3.3(5) . . . . ?
C7 C8 C9 O3 178.5(3) . . . . ?
C7 C8 C9 C4 0.0(5) . . . . ?
C9 C4 C5 O4 -171.3(3) . . . . ?
C9 C4 C5 C6 6.4(4) . . . . ?
C10 O3 C9 C4 -177.1(3) . . . . ?
C10 O3 C9 C8 4.3(4) . . . . ?
C11 O4 C5 C4 -170.7(3) . . . . ?
C11 O4 C5 C6 11.7(4) . . . . ?
C12 N2 C1 Ru1 -8.2(4) . . . . ?
C12 N2 C1 N1 177.0(3) . . . . ?
C12 N2 C3 C2 -172.7(3) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C13 C12 C17 O2 169.4(3) . . . . ?
C13 C12 C17 C16 -8.4(4) . . . . ?
C13 C14 C15 C16 -3.1(5) . . . . ?
C14 C15 C16 C17 0.6(5) . . . . ?
C15 C16 C17 O2 -172.4(3) . . . . ?
C15 C16 C17 C12 5.2(4) . . . . ?
C17 C12 C13 O1 -173.6(3) . . . . ?
C17 C12 C13 C14 5.9(4) . . . . ?
C18 O1 C13 C12 173.9(3) . . . . ?
C18 O1 C13 C14 -5.6(4) . . . . ?
C19 O2 C17 C12 175.5(3) . . . . ?
C19 O2 C17 C16 -6.9(4) . . . . ?
C20 C21 C22 Ru1 63.3(2) . . . . ?
C20 C21 C22 C23 3.8(3) . . . . ?
C20 C21 C22 C27 -174.6(3) . . . . ?
C21 C20 C24 Ru1 -58.4(2) . . . . ?
C21 C20 C24 C23 0.7(3) . . . . ?
C21 C20 C24 C29 -179.3(3) . . . . ?
C21 C22 C23 Ru1 59.25(19) . . . . ?
C21 C22 C23 C24 -3.4(3) . . . . ?
C21 C22 C23 C28 -175.6(3) . . . . ?
C22 C23 C24 Ru1 62.21(19) . . . . ?
C22 C23 C24 C20 1.7(3) . . . . ?
C22 C23 C24 C29 -178.4(3) . . . . ?
C24 C20 C21 Ru1 60.0(2) . . . . ?
C24 C20 C21 C22 -2.8(3) . . . . ?
C24 C20 C21 C26 -175.9(3) . . . . ?
C25 C20 C21 Ru1 -117.8(3) . . . . ?
C25 C20 C21 C22 179.5(3) . . . . ?
C25 C20 C21 C26 6.4(5) . . . . ?
C25 C20 C24 Ru1 119.3(3) . . . . ?
C25 C20 C24 C23 178.4(3) . . . . ?
C25 C20 C24 C29 -1.6(5) . . . . ?
C26 C21 C22 Ru1 -123.8(3) . . . . ?
C26 C21 C22 C23 176.7(3) . . . . ?
C26 C21 C22 C27 -1.8(5) . . . . ?
C27 C22 C23 Ru1 -122.3(3) . . . . ?
C27 C22 C23 C24 175.1(3) . . . . ?
C27 C22 C23 C28 2.9(5) . . . . ?
C28 C23 C24 Ru1 -125.4(3) . . . . ?
C28 C23 C24 C20 174.1(3) . . . . ?
C28 C23 C24 C29 -6.0(5) . . . . ?
Ru2 O5 C46 C41 51.0(3) . . . . ?
Ru2 O5 C46 C45 -126.3(3) . . . . ?
Ru2 C49 C50 C51 63.63(19) . . . . ?
Ru2 C49 C50 C55 -123.4(3) . . . . ?
Ru2 C49 C53 C52 -59.3(2) . . . . ?
Ru2 C49 C53 C58 120.6(3) . . . . ?
Ru2 C50 C51 C52 61.5(2) . . . . ?
Ru2 C50 C51 C56 -121.0(3) . . . . ?
Ru2 C51 C52 C53 62.6(2) . . . . ?
Ru2 C51 C52 C57 -127.8(3) . . . . ?
Ru2 C52 C53 C49 61.0(2) . . . . ?
Ru2 C52 C53 C58 -118.9(3) . . . . ?
O6 C42 C43 C44 -175.1(3) . . . . ?
O7 C34 C35 C36 175.5(3) . . . . ?
N3 C31 C32 N4 -7.3(3) . . . . ?
N3 C33 C34 O7 4.7(4) . . . . ?
N3 C33 C34 C35 -177.9(3) . . . . ?
N3 C33 C38 O8 -2.7(4) . . . . ?
N3 C33 C38 C37 177.7(3) . . . . ?
N4 C41 C42 O6 -5.2(4) . . . . ?
N4 C41 C42 C43 176.6(3) . . . . ?
N4 C41 C46 O5 5.2(5) . . . . ?
N4 C41 C46 C45 -177.7(3) . . . . ?
C30 N3 C31 C32 9.0(3) . . . . ?
C30 N3 C33 C34 75.6(4) . . . . ?
C30 N3 C33 C38 -107.7(3) . . . . ?
C30 N4 C32 C31 4.2(3) . . . . ?
C30 N4 C41 C42 141.5(3) . . . . ?
C30 N4 C41 C46 -34.6(4) . . . . ?
C31 N3 C30 Ru2 -178.8(2) . . . . ?
C31 N3 C30 N4 -6.5(3) . . . . ?
C31 N3 C33 C34 -86.1(3) . . . . ?
C31 N3 C33 C38 90.6(3) . . . . ?
C32 N4 C30 Ru2 174.3(2) . . . . ?
C32 N4 C30 N3 1.1(3) . . . . ?
C32 N4 C41 C42 -48.4(4) . . . . ?
C32 N4 C41 C46 135.5(3) . . . . ?
C33 N3 C30 Ru2 18.5(4) . . . . ?
C33 N3 C30 N4 -169.2(3) . . . . ?
C33 N3 C31 C32 172.4(3) . . . . ?
C33 C34 C35 C36 -1.6(4) . . . . ?
C34 C33 C38 O8 174.0(3) . . . . ?
C34 C33 C38 C37 -5.6(4) . . . . ?
C34 C35 C36 C37 -2.0(5) . . . . ?
C35 C36 C37 C38 1.8(5) . . . . ?
C36 C37 C38 O8 -177.5(3) . . . . ?
C36 C37 C38 C33 2.0(4) . . . . ?
C38 C33 C34 O7 -172.1(3) . . . . ?
C38 C33 C34 C35 5.3(4) . . . . ?
C39 O8 C38 C33 -179.0(3) . . . . ?
C39 O8 C38 C37 0.6(5) . . . . ?
C40 O7 C34 C33 -175.7(3) . . . . ?
C40 O7 C34 C35 7.1(4) . . . . ?
C41 N4 C30 Ru2 -14.9(4) . . . . ?
C41 N4 C30 N3 171.9(3) . . . . ?
C41 N4 C32 C31 -166.8(3) . . . . ?
C41 C42 C43 C44 3.0(5) . . . . ?
C42 C41 C46 O5 -171.2(3) . . . . ?
C42 C41 C46 C45 6.0(5) . . . . ?
C42 C43 C44 C45 2.7(5) . . . . ?
C43 C44 C45 C46 -3.8(5) . . . . ?
C44 C45 C46 O5 176.5(3) . . . . ?
C44 C45 C46 C41 -0.7(5) . . . . ?
C46 C41 C42 O6 171.2(3) . . . . ?
C46 C41 C42 C43 -7.1(4) . . . . ?
C47 O5 C46 C41 -85.3(4) . . . . ?
C47 O5 C46 C45 97.4(4) . . . . ?
C48 O6 C42 C41 -174.6(3) . . . . ?
C48 O6 C42 C43 3.6(5) . . . . ?
C49 C50 C51 Ru2 -65.58(19) . . . . ?
C49 C50 C51 C52 -4.1(3) . . . . ?
C49 C50 C51 C56 173.4(3) . . . . ?
C50 C49 C53 Ru2 56.4(2) . . . . ?
C50 C49 C53 C52 -2.9(3) . . . . ?
C50 C49 C53 C58 177.0(3) . . . . ?
C50 C51 C52 Ru2 -60.12(19) . . . . ?
C50 C51 C52 C53 2.4(3) . . . . ?
C50 C51 C52 C57 172.1(3) . . . . ?
C51 C52 C53 Ru2 -60.8(2) . . . . ?
C51 C52 C53 C49 0.3(3) . . . . ?
C51 C52 C53 C58 -179.6(3) . . . . ?
C53 C49 C50 Ru2 -59.3(2) . . . . ?
C53 C49 C50 C51 4.3(3) . . . . ?
C53 C49 C50 C55 177.3(3) . . . . ?
C54 C49 C50 Ru2 118.9(3) . . . . ?
C54 C49 C50 C51 -177.5(3) . . . . ?
C54 C49 C50 C55 -4.5(5) . . . . ?
C54 C49 C53 Ru2 -121.7(3) . . . . ?
C54 C49 C53 C52 179.0(3) . . . . ?
C54 C49 C53 C58 -1.1(5) . . . . ?
C55 C50 C51 Ru2 121.7(3) . . . . ?
C55 C50 C51 C52 -176.8(3) . . . . ?
C55 C50 C51 C56 0.8(5) . . . . ?
C56 C51 C52 Ru2 122.3(3) . . . . ?
C56 C51 C52 C53 -175.2(3) . . . . ?
C56 C51 C52 C57 -5.5(5) . . . . ?
C57 C52 C53 Ru2 129.5(3) . . . . ?
C57 C52 C53 C49 -169.4(3) . . . . ?
C57 C52 C53 C58 10.7(5) . . . . ?
Ru3 C78 C79 C80 62.79(19) . . . . ?
Ru3 C78 C79 C84 -124.4(3) . . . . ?
Ru3 C78 C82 C81 -63.52(19) . . . . ?
Ru3 C78 C82 C87 122.6(3) . . . . ?
Ru3 C79 C80 C81 61.2(2) . . . . ?
Ru3 C79 C80 C85 -117.0(3) . . . . ?
Ru3 C80 C81 C82 57.72(19) . . . . ?
Ru3 C80 C81 C86 -120.7(3) . . . . ?
Ru3 C81 C82 C78 62.29(19) . . . . ?
Ru3 C81 C82 C87 -123.6(3) . . . . ?
O9 C63 C64 C65 179.9(3) . . . . ?
O12 C71 C72 C73 174.5(3) . . . . ?
N5 C60 C61 N6 -5.6(3) . . . . ?
N5 C62 C63 O9 -1.8(4) . . . . ?
N5 C62 C63 C64 179.7(3) . . . . ?
N5 C62 C67 O10 -2.1(4) . . . . ?
N5 C62 C67 C66 179.9(3) . . . . ?
N6 C70 C71 O12 4.0(4) . . . . ?
N6 C70 C71 C72 -178.1(3) . . . . ?
N6 C70 C75 O11 -0.1(4) . . . . ?
N6 C70 C75 C74 178.8(3) . . . . ?
C59 N5 C60 C61 2.0(4) . . . . ?
C59 N5 C62 C63 118.8(3) . . . . ?
C59 N5 C62 C67 -67.0(4) . . . . ?
C59 N6 C61 C60 8.3(4) . . . . ?
C59 N6 C70 C71 64.9(4) . . . . ?
C59 N6 C70 C75 -120.0(3) . . . . ?
C60 N5 C59 Ru3 171.9(2) . . . . ?
C60 N5 C59 N6 3.0(3) . . . . ?
C60 N5 C62 C63 -71.2(4) . . . . ?
C60 N5 C62 C67 103.0(3) . . . . ?
C61 N6 C59 Ru3 -176.4(2) . . . . ?
C61 N6 C59 N5 -7.2(3) . . . . ?
C61 N6 C70 C71 -90.9(4) . . . . ?
C61 N6 C70 C75 84.2(4) . . . . ?
C62 N5 C59 Ru3 -17.5(4) . . . . ?
C62 N5 C59 N6 173.6(3) . . . . ?
C62 N5 C60 C61 -169.0(3) . . . . ?
C62 C63 C64 C65 -1.8(5) . . . . ?
C63 C62 C67 O10 172.1(3) . . . . ?
C63 C62 C67 C66 -5.9(4) . . . . ?
C63 C64 C65 C66 -1.7(5) . . . . ?
C64 C65 C66 C67 1.3(5) . . . . ?
C65 C66 C67 O10 -175.3(3) . . . . ?
C65 C66 C67 C62 2.5(5) . . . . ?
C67 C62 C63 O9 -176.0(3) . . . . ?
C67 C62 C63 C64 5.5(5) . . . . ?
C68 O9 C63 C62 177.7(3) . . . . ?
C68 O9 C63 C64 -3.9(5) . . . . ?
C69 O10 C67 C62 -173.3(3) . . . . ?
C69 O10 C67 C66 4.7(4) . . . . ?
C70 N6 C59 Ru3 26.6(4) . . . . ?
C70 N6 C59 N5 -164.2(3) . . . . ?
C70 N6 C61 C60 166.1(3) . . . . ?
C70 C71 C72 C73 -3.2(4) . . . . ?
C71 C70 C75 O11 174.9(3) . . . . ?
C71 C70 C75 C74 -6.2(4) . . . . ?
C71 C72 C73 C74 -1.0(5) . . . . ?
C72 C73 C74 C75 1.5(5) . . . . ?
C73 C74 C75 O11 -179.1(3) . . . . ?
C73 C74 C75 C70 2.1(5) . . . . ?
C75 C70 C71 O12 -171.2(3) . . . . ?
C75 C70 C71 C72 6.7(4) . . . . ?
C76 O11 C75 C70 -175.0(3) . . . . ?
C76 O11 C75 C74 6.1(4) . . . . ?
C77 O12 C71 C70 -169.3(3) . . . . ?
C77 O12 C71 C72 12.9(4) . . . . ?
C78 C79 C80 Ru3 -62.19(19) . . . . ?
C78 C79 C80 C81 -1.0(3) . . . . ?
C78 C79 C80 C85 -179.2(3) . . . . ?
C79 C78 C82 Ru3 59.65(19) . . . . ?
C79 C78 C82 C81 -3.9(3) . . . . ?
C79 C78 C82 C87 -177.8(3) . . . . ?
C79 C80 C81 Ru3 -59.09(19) . . . . ?
C79 C80 C81 C82 -1.4(3) . . . . ?
C79 C80 C81 C86 -179.8(3) . . . . ?
C80 C81 C82 Ru3 -59.0(2) . . . . ?
C80 C81 C82 C78 3.3(3) . . . . ?
C80 C81 C82 C87 177.4(3) . . . . ?
C82 C78 C79 Ru3 -59.77(19) . . . . ?
C82 C78 C79 C80 3.0(3) . . . . ?
C82 C78 C79 C84 175.9(3) . . . . ?
C83 C78 C79 Ru3 120.3(3) . . . . ?
C83 C78 C79 C80 -176.9(3) . . . . ?
C83 C78 C79 C84 -4.0(5) . . . . ?
C83 C78 C82 Ru3 -120.4(3) . . . . ?
C83 C78 C82 C81 176.0(3) . . . . ?
C83 C78 C82 C87 2.1(5) . . . . ?
C84 C79 C80 Ru3 124.6(3) . . . . ?
C84 C79 C80 C81 -174.2(3) . . . . ?
C84 C79 C80 C85 7.6(4) . . . . ?
C85 C80 C81 Ru3 119.0(3) . . . . ?
C85 C80 C81 C82 176.7(3) . . . . ?
C85 C80 C81 C86 -1.7(5) . . . . ?
C86 C81 C82 Ru3 119.4(3) . . . . ?
C86 C81 C82 C78 -178.3(3) . . . . ?
C86 C81 C82 C87 -4.1(5) . . . . ?

_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 1.794
_oxdiff_exptl_absorpt_empirical_full_min 0.491
####################################################################### 
# 
# 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_lzy-2-22_auto
_database_code_depnum_ccdc_archive 'CCDC 2537158'
loop_
_audit_author_name
_audit_author_address
'Zhaoyang Li'
;Tsinghua university
China
;
_audit_update_record             
;
2026-05-18 deposited with the CCDC.	2026-05-28 downloaded from the CCDC.
;
_audit_creation_date             2026-05-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H37 N2 O5 P Ru, C4 H10 O'
_chemical_formula_sum            'C34 H47 N2 O6 P Ru'
_chemical_formula_weight         711.77
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Ru P O N C H'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.01230(10)
_cell_length_b                   12.97590(10)
_cell_length_c                   22.1429(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.1850(10)
_cell_angle_gamma                90
_cell_volume                     3450.69(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17159
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      76.6650
_cell_measurement_theta_min      3.9680
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.807
_exptl_absorpt_coefficient_mu    4.479
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.55a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear brownish brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22014
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.817
_diffrn_reflns_theta_min         3.680
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -113.00 -76.00   0.50    0.05    --  -47.56-125.00 -90.00   74
  2  ω   -104.00 -75.00   0.50    0.05    --  -47.56-125.00 -60.00   58
  3  ω   -113.00 -75.00   0.50    0.05    --  -47.56-125.00  60.00   76
  4  ω   -164.00 -96.00   0.50    0.05    -- -104.00 -38.00-120.00  136
  5  ω    -13.00  13.00   0.50    0.05    --  -47.56  19.00-150.00   52
  6  ω    -59.00 -33.00   0.50    0.05    -- -104.00  57.00 -60.00   52
  7  ω    -61.00 -32.00   0.50    0.05    -- -104.00  57.00  30.00   58
  8  ω    -63.00 -37.00   0.50    0.05    -- -104.00  57.00  60.00   52
  9  ω    -24.00  11.00   0.50    0.05    --  -47.56  19.00 -60.00   70
 10  ω     35.00  94.00   0.50    0.05    --  104.75-125.00-120.00  118
 11  ω     26.00  89.00   0.50    0.05    --   47.56-125.00 120.00  126
 12  ω     46.00  72.00   0.50    0.05    --  104.75 -77.00   0.00   52
 13  ω     33.00  66.00   0.50    0.05    --  104.75 -57.00 150.00   66
 14  ω     33.00  58.00   0.50    0.05    --  104.75 -57.00 -30.00   50
 15  ω     34.00  62.00   0.50    0.05    --  104.75 -57.00 -90.00   56
 16  ω     40.00  65.00   0.50    0.05    --  104.75 -57.00-120.00   50
 17  ω     66.00 106.00   0.50    0.05    --  104.75 -77.00-180.00   80
 18  ω     40.00  68.00   0.50    0.05    --  104.75 -57.00-180.00   56
 19  ω    -13.00  37.00   0.50    0.05    --   47.56 -38.00 -90.00  100
 20  ω     93.00 119.00   0.50    0.05    --  104.75  57.00-120.00   52
 21  ω    143.00 176.00   0.50    0.05    --  104.75  57.00-120.00   66
 22  ω     94.00 158.00   0.50    0.05    --  104.75  38.00  60.00  128
 23  ω    100.00 157.00   0.50    0.05    --  104.75  38.00  90.00  114
 24  ω     95.00 174.00   0.50    0.05    --  104.75  38.00 150.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0984951000
_diffrn_orient_matrix_UB_12      -0.0288205000
_diffrn_orient_matrix_UB_13      -0.0401616000
_diffrn_orient_matrix_UB_21      -0.0815350000
_diffrn_orient_matrix_UB_22      -0.0477340000
_diffrn_orient_matrix_UB_23      -0.0467332000
_diffrn_orient_matrix_UB_31      -0.0099985000
_diffrn_orient_matrix_UB_32      0.1048249000
_diffrn_orient_matrix_UB_33      -0.0323490000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6616
_reflns_number_total             7011
_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 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       0.00029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7011
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0238
_refine_ls_restrained_S_all      1.036
_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)+(0.0331P)²+1.5894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0629
_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 Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b), C3(H3a,H3b), C30(H30a,H30b), C32(H32a,H32b)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16)
2.c Idealised Me refined as rotating group:
 C10(H10a,H10b,H10c), C11(H11a,H11b,H11c), C18(H18a,H18b,H18c), C19(H19a,H19b,
 H19c), C25(H25a,H25b,H25c), C26(H26a,H26b,H26c), C27(H27a,H27b,H27c), C28(H28a,
 H28b,H28c), C29(H29a,H29b,H29c), C31(H31a,H31b,H31c), C33(H33a,H33b,H33c)
;
_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 0.19300(2) 0.24025(2) 0.45950(2) 0.01859(5) Uani 1 1 d . . . . .
P1 P 0.27905(3) 0.28757(3) 0.55095(2) 0.02384(9) Uani 1 1 d . . . . .
O1 O 0.00572(10) 0.50888(10) 0.35327(6) 0.0299(3) Uani 1 1 d . . . . .
O2 O 0.32845(11) 0.32696(10) 0.30969(6) 0.0350(3) Uani 1 1 d . . . . .
O3 O 0.34952(10) 0.59232(9) 0.57352(5) 0.0297(3) Uani 1 1 d . . . . .
O4 O 0.45118(11) 0.16152(11) 0.52527(7) 0.0395(3) Uani 1 1 d . . . . .
O5 O 0.39214(11) 0.15864(11) 0.39587(6) 0.0372(3) Uani 1 1 d . . . . .
N1 N 0.21055(11) 0.44328(10) 0.38659(6) 0.0206(3) Uani 1 1 d . . . . .
N2 N 0.27658(11) 0.45675(10) 0.47838(6) 0.0210(3) Uani 1 1 d . . . . .
C00Y C 0.31981(14) 0.19727(13) 0.42087(8) 0.0264(3) Uani 1 1 d . . . . .
C1 C 0.22573(12) 0.39075(12) 0.43850(7) 0.0195(3) Uani 1 1 d . . . . .
C2 C 0.30453(15) 0.55726(13) 0.45172(7) 0.0269(3) Uani 1 1 d . . . . .
H2A H 0.386109 0.567984 0.451338 0.032 Uiso 1 1 calc R U . . .
H2B H 0.269687 0.614496 0.474068 0.032 Uiso 1 1 calc R U . . .
C3 C 0.25606(14) 0.54872(13) 0.38780(7) 0.0262(3) Uani 1 1 d . . . . .
H3A H 0.196797 0.600519 0.380492 0.031 Uiso 1 1 calc R U . . .
H3B H 0.314477 0.557477 0.357331 0.031 Uiso 1 1 calc R U . . .
C4 C 0.31291(12) 0.42308(13) 0.53586(7) 0.0222(3) Uani 1 1 d . . . . .
C5 C 0.42377(16) 0.24219(13) 0.56153(9) 0.0303(4) Uani 1 1 d . . . . .
C6 C 0.49076(16) 0.27948(16) 0.60615(9) 0.0340(4) Uani 1 1 d . . . . .
H6 H 0.561419 0.247546 0.611606 0.041 Uiso 1 1 calc R U . . .
C7 C 0.46490(15) 0.36319(16) 0.64621(8) 0.0354(4) Uani 1 1 d . . . . .
H7 H 0.493727 0.356196 0.686275 0.042 Uiso 1 1 calc R U . . .
C8 C 0.40628(15) 0.44956(16) 0.63555(8) 0.0320(4) Uani 1 1 d . . . . .
H8 H 0.395758 0.492890 0.669543 0.038 Uiso 1 1 calc R U . . .
C9 C 0.35681(14) 0.48565(14) 0.57907(7) 0.0259(3) Uani 1 1 d . . . . .
C10 C 0.45357(16) 0.64644(16) 0.57696(10) 0.0392(4) Uani 1 1 d . . . . .
H10A H 0.495088 0.634050 0.540019 0.059 Uiso 1 1 calc R U . . .
H10B H 0.497188 0.621810 0.611950 0.059 Uiso 1 1 calc R U . . .
H10C H 0.439515 0.720452 0.581244 0.059 Uiso 1 1 calc R U . . .
C11 C 0.56168(19) 0.12100(19) 0.53086(13) 0.0542(6) Uani 1 1 d . . . . .
H11A H 0.573537 0.070166 0.498894 0.081 Uiso 1 1 calc R U . . .
H11B H 0.571565 0.087899 0.570386 0.081 Uiso 1 1 calc R U . . .
H11C H 0.615634 0.177172 0.527117 0.081 Uiso 1 1 calc R U . . .
C12 C 0.16103(14) 0.40791(12) 0.33151(7) 0.0226(3) Uani 1 1 d . . . . .
C13 C 0.05574(14) 0.44384(13) 0.31395(7) 0.0259(3) Uani 1 1 d . . . . .
C14 C 0.00852(17) 0.41400(15) 0.25869(8) 0.0352(4) Uani 1 1 d . . . . .
H14 H -0.063846 0.436877 0.246903 0.042 Uiso 1 1 calc R U . . .
C15 C 0.06855(19) 0.35072(16) 0.22137(8) 0.0405(5) Uani 1 1 d . . . . .
H15 H 0.035374 0.328785 0.184232 0.049 Uiso 1 1 calc R U . . .
C16 C 0.17505(18) 0.31810(16) 0.23602(8) 0.0383(4) Uani 1 1 d . . . . .
H16 H 0.215199 0.275735 0.209081 0.046 Uiso 1 1 calc R U . . .
C17 C 0.22261(15) 0.34864(13) 0.29126(7) 0.0283(4) Uani 1 1 d . . . . .
C18 C 0.3912(2) 0.26041(17) 0.27141(11) 0.0493(6) Uani 1 1 d . . . . .
H18A H 0.399560 0.293011 0.231844 0.074 Uiso 1 1 calc R U . . .
H18B H 0.351942 0.194647 0.266434 0.074 Uiso 1 1 calc R U . . .
H18C H 0.464883 0.248122 0.289815 0.074 Uiso 1 1 calc R U . . .
C19 C -0.10534(16) 0.54146(16) 0.33829(10) 0.0409(5) Uani 1 1 d . . . . .
H19A H -0.104803 0.582815 0.301261 0.061 Uiso 1 1 calc R U . . .
H19B H -0.134372 0.583002 0.371400 0.061 Uiso 1 1 calc R U . . .
H19C H -0.152850 0.480863 0.331945 0.061 Uiso 1 1 calc R U . . .
C20 C 0.09865(13) 0.11647(12) 0.50669(7) 0.0241(3) Uani 1 1 d . . . . .
C21 C 0.03062(13) 0.20753(13) 0.50616(7) 0.0231(3) Uani 1 1 d . . . . .
C22 C 0.00236(14) 0.23097(13) 0.44477(8) 0.0234(3) Uani 1 1 d . . . . .
C23 C 0.05382(13) 0.15734(13) 0.40701(7) 0.0244(3) Uani 1 1 d . . . . .
C24 C 0.11344(13) 0.08652(12) 0.44547(8) 0.0251(3) Uani 1 1 d . . . . .
C25 C 0.14019(15) 0.05848(15) 0.56141(9) 0.0338(4) Uani 1 1 d . . . . .
H25A H 0.210213 0.023727 0.552123 0.051 Uiso 1 1 calc R U . . .
H25B H 0.084665 0.007134 0.572896 0.051 Uiso 1 1 calc R U . . .
H25C H 0.152763 0.106760 0.594893 0.051 Uiso 1 1 calc R U . . .
C26 C -0.01338(17) 0.26369(14) 0.55979(9) 0.0323(4) Uani 1 1 d . . . . .
H26A H 0.040662 0.259013 0.593446 0.048 Uiso 1 1 calc R U . . .
H26B H -0.083948 0.232535 0.571679 0.048 Uiso 1 1 calc R U . . .
H26C H -0.025639 0.336247 0.549321 0.048 Uiso 1 1 calc R U . . .
C27 C -0.07937(15) 0.31241(15) 0.42540(9) 0.0336(4) Uani 1 1 d . . . . .
H27A H -0.062235 0.376813 0.446761 0.050 Uiso 1 1 calc R U . . .
H27B H -0.154899 0.290088 0.435013 0.050 Uiso 1 1 calc R U . . .
H27C H -0.074400 0.323572 0.381767 0.050 Uiso 1 1 calc R U . . .
C28 C 0.03795(16) 0.14582(16) 0.33989(8) 0.0345(4) Uani 1 1 d . . . . .
H28A H 0.017789 0.212639 0.322171 0.052 Uiso 1 1 calc R U . . .
H28B H -0.021639 0.095985 0.331371 0.052 Uiso 1 1 calc R U . . .
H28C H 0.107331 0.121315 0.322327 0.052 Uiso 1 1 calc R U . . .
C29 C 0.17113(17) -0.00904(15) 0.42444(10) 0.0393(5) Uani 1 1 d . . . . .
H29A H 0.212722 0.006456 0.387925 0.059 Uiso 1 1 calc R U . . .
H29B H 0.115720 -0.062604 0.415431 0.059 Uiso 1 1 calc R U . . .
H29C H 0.222671 -0.033442 0.456210 0.059 Uiso 1 1 calc R U . . .
O6 O 0.66518(14) 0.17450(14) 0.26865(8) 0.0580(4) Uani 1 1 d . . . . .
C30 C 0.6944(3) 0.0959(3) 0.31021(16) 0.0781(9) Uani 1 1 d . . . . .
H30A H 0.706467 0.126052 0.350888 0.094 Uiso 1 1 calc R U . . .
H30B H 0.764624 0.062713 0.297949 0.094 Uiso 1 1 calc R U . . .
C31 C 0.6052(2) 0.0184(2) 0.31218(16) 0.0730(8) Uani 1 1 d . . . . .
H31A H 0.593782 -0.011701 0.271928 0.109 Uiso 1 1 calc R U . . .
H31B H 0.536074 0.051208 0.324989 0.109 Uiso 1 1 calc R U . . .
H31C H 0.626181 -0.036004 0.340934 0.109 Uiso 1 1 calc R U . . .
C32 C 0.7390(3) 0.2578(3) 0.2677(2) 0.1032(16) Uani 1 1 d . . . . .
H32A H 0.814772 0.232565 0.258806 0.124 Uiso 1 1 calc R U . . .
H32B H 0.741691 0.291287 0.307817 0.124 Uiso 1 1 calc R U . . .
C33 C 0.7040(3) 0.3333(3) 0.22155(17) 0.0987(13) Uani 1 1 d . . . . .
H33A H 0.715092 0.304315 0.181256 0.148 Uiso 1 1 calc R U . . .
H33B H 0.748420 0.396241 0.226292 0.148 Uiso 1 1 calc R U . . .
H33C H 0.625023 0.349759 0.226373 0.148 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.3367(4) . ?
Ru1 C00Y 1.8484(17) . ?
Ru1 C1 2.0474(16) . ?
Ru1 C20 2.2373(15) . ?
Ru1 C21 2.2664(15) . ?
Ru1 C22 2.3096(16) . ?
Ru1 C23 2.2855(15) . ?
Ru1 C24 2.2309(16) . ?
P1 C4 1.8370(17) . ?
P1 C5 1.846(2) . ?
O1 C13 1.361(2) . ?
O1 C19 1.432(2) . ?
O2 C17 1.357(2) . ?
O2 C18 1.435(2) . ?
O3 C9 1.392(2) . ?
O3 C10 1.434(2) . ?
O4 C5 1.364(2) . ?
O4 C11 1.431(2) . ?
O5 C00Y 1.154(2) . ?
N1 C1 1.346(2) . ?
N1 C3 1.473(2) . ?
N1 C12 1.422(2) . ?
N2 C1 1.365(2) . ?
N2 C2 1.473(2) . ?
N2 C4 1.407(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.523(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C9 1.354(2) . ?
C5 C6 1.351(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.440(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.342(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.451(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.396(2) . ?
C12 C17 1.400(2) . ?
C13 C14 1.393(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.437(2) . ?
C20 C24 1.425(2) . ?
C20 C25 1.503(2) . ?
C21 C22 1.427(2) . ?
C21 C26 1.499(2) . ?
C22 C23 1.420(2) . ?
C22 C27 1.499(2) . ?
C23 C24 1.434(2) . ?
C23 C28 1.502(2) . ?
C24 C29 1.499(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O6 C30 1.413(3) . ?
O6 C32 1.398(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.471(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.471(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C00Y Ru1 P1 97.26(5) . . ?
C00Y Ru1 C1 91.08(7) . . ?
C00Y Ru1 C20 115.45(7) . . ?
C00Y Ru1 C21 151.61(7) . . ?
C00Y Ru1 C22 137.99(7) . . ?
C00Y Ru1 C23 102.93(7) . . ?
C00Y Ru1 C24 91.18(7) . . ?
C1 Ru1 P1 82.10(4) . . ?
C1 Ru1 C20 153.16(6) . . ?
C1 Ru1 C21 116.96(6) . . ?
C1 Ru1 C22 102.25(6) . . ?
C1 Ru1 C23 118.39(6) . . ?
C1 Ru1 C24 154.82(6) . . ?
C20 Ru1 P1 90.18(4) . . ?
C20 Ru1 C21 37.20(6) . . ?
C20 Ru1 C22 61.19(6) . . ?
C20 Ru1 C23 61.79(6) . . ?
C21 Ru1 P1 91.35(4) . . ?
C21 Ru1 C22 36.33(6) . . ?
C21 Ru1 C23 61.07(6) . . ?
C22 Ru1 P1 123.75(4) . . ?
C23 Ru1 P1 150.49(4) . . ?
C23 Ru1 C22 35.99(6) . . ?
C24 Ru1 P1 122.42(5) . . ?
C24 Ru1 C20 37.19(6) . . ?
C24 Ru1 C21 61.68(6) . . ?
C24 Ru1 C22 60.86(6) . . ?
C24 Ru1 C23 37.01(6) . . ?
C4 P1 Ru1 100.92(5) . . ?
C4 P1 C5 96.72(7) . . ?
C5 P1 Ru1 115.13(7) . . ?
C13 O1 C19 117.15(14) . . ?
C17 O2 C18 116.58(17) . . ?
C9 O3 C10 115.40(14) . . ?
C5 O4 C11 117.78(16) . . ?
C1 N1 C3 114.28(13) . . ?
C1 N1 C12 128.03(13) . . ?
C12 N1 C3 117.63(12) . . ?
C1 N2 C2 113.51(13) . . ?
C1 N2 C4 121.11(14) . . ?
C4 N2 C2 124.65(13) . . ?
O5 C00Y Ru1 171.33(15) . . ?
N1 C1 Ru1 130.84(11) . . ?
N1 C1 N2 106.59(13) . . ?
N2 C1 Ru1 122.48(11) . . ?
N2 C2 H2A 111.2 . . ?
N2 C2 H2B 111.2 . . ?
N2 C2 C3 102.82(13) . . ?
H2A C2 H2B 109.1 . . ?
C3 C2 H2A 111.2 . . ?
C3 C2 H2B 111.2 . . ?
N1 C3 C2 102.65(13) . . ?
N1 C3 H3A 111.2 . . ?
N1 C3 H3B 111.2 . . ?
C2 C3 H3A 111.2 . . ?
C2 C3 H3B 111.2 . . ?
H3A C3 H3B 109.1 . . ?
N2 C4 P1 113.34(11) . . ?
C9 C4 P1 122.01(13) . . ?
C9 C4 N2 124.22(16) . . ?
O4 C5 P1 114.11(13) . . ?
C6 C5 P1 121.59(16) . . ?
C6 C5 O4 123.92(18) . . ?
C5 C6 H6 117.0 . . ?
C5 C6 C7 125.99(18) . . ?
C7 C6 H6 117.0 . . ?
C6 C7 H7 115.1 . . ?
C8 C7 C6 129.84(16) . . ?
C8 C7 H7 115.1 . . ?
C7 C8 H8 115.7 . . ?
C7 C8 C9 128.69(17) . . ?
C9 C8 H8 115.7 . . ?
O3 C9 C8 114.89(15) . . ?
C4 C9 O3 120.73(16) . . ?
C4 C9 C8 124.21(17) . . ?
O3 C10 H10A 109.5 . . ?
O3 C10 H10B 109.5 . . ?
O3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O4 C11 H11A 109.5 . . ?
O4 C11 H11B 109.5 . . ?
O4 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 N1 119.46(14) . . ?
C13 C12 C17 119.58(15) . . ?
C17 C12 N1 120.41(15) . . ?
O1 C13 C12 115.99(14) . . ?
O1 C13 C14 123.86(16) . . ?
C14 C13 C12 120.14(16) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 C13 118.91(18) . . ?
C15 C14 H14 120.5 . . ?
C14 C15 H15 118.8 . . ?
C14 C15 C16 122.38(17) . . ?
C16 C15 H15 118.8 . . ?
C15 C16 H16 120.7 . . ?
C15 C16 C17 118.64(17) . . ?
C17 C16 H16 120.7 . . ?
O2 C17 C12 115.24(15) . . ?
O2 C17 C16 124.65(16) . . ?
C16 C17 C12 120.10(17) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 H19A 109.5 . . ?
O1 C19 H19B 109.5 . . ?
O1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 Ru1 72.50(9) . . ?
C21 C20 C25 126.70(16) . . ?
C24 C20 Ru1 71.16(9) . . ?
C24 C20 C21 107.38(14) . . ?
C24 C20 C25 125.78(16) . . ?
C25 C20 Ru1 124.97(11) . . ?
C20 C21 Ru1 70.30(8) . . ?
C20 C21 C26 127.11(15) . . ?
C22 C21 Ru1 73.48(9) . . ?
C22 C21 C20 107.88(14) . . ?
C22 C21 C26 124.77(16) . . ?
C26 C21 Ru1 126.24(12) . . ?
C21 C22 Ru1 70.19(9) . . ?
C21 C22 C27 124.35(16) . . ?
C23 C22 Ru1 71.08(9) . . ?
C23 C22 C21 108.65(15) . . ?
C23 C22 C27 126.62(16) . . ?
C27 C22 Ru1 130.18(12) . . ?
C22 C23 Ru1 72.93(9) . . ?
C22 C23 C24 107.43(14) . . ?
C22 C23 C28 127.00(16) . . ?
C24 C23 Ru1 69.43(9) . . ?
C24 C23 C28 125.13(16) . . ?
C28 C23 Ru1 128.80(11) . . ?
C20 C24 Ru1 71.65(9) . . ?
C20 C24 C23 108.64(14) . . ?
C20 C24 C29 126.06(17) . . ?
C23 C24 Ru1 73.56(9) . . ?
C23 C24 C29 125.01(16) . . ?
C29 C24 Ru1 125.68(12) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 O6 C30 114.8(2) . . ?
O6 C30 H30A 109.7 . . ?
O6 C30 H30B 109.7 . . ?
O6 C30 C31 110.0(2) . . ?
H30A C30 H30B 108.2 . . ?
C31 C30 H30A 109.7 . . ?
C31 C30 H30B 109.7 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O6 C32 H32A 109.5 . . ?
O6 C32 H32B 109.5 . . ?
O6 C32 C33 110.7(2) . . ?
H32A C32 H32B 108.1 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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
Ru1 P1 C4 N2 1.67(11) . . . . ?
Ru1 P1 C4 C9 174.51(13) . . . . ?
Ru1 P1 C5 O4 -19.79(15) . . . . ?
Ru1 P1 C5 C6 167.07(13) . . . . ?
Ru1 C20 C21 C22 64.35(11) . . . . ?
Ru1 C20 C21 C26 -121.09(17) . . . . ?
Ru1 C20 C24 C23 -64.75(11) . . . . ?
Ru1 C20 C24 C29 121.24(17) . . . . ?
Ru1 C21 C22 C23 60.97(11) . . . . ?
Ru1 C21 C22 C27 -125.77(16) . . . . ?
Ru1 C22 C23 C24 61.20(10) . . . . ?
Ru1 C22 C23 C28 -126.11(17) . . . . ?
Ru1 C23 C24 C20 63.52(11) . . . . ?
Ru1 C23 C24 C29 -122.40(16) . . . . ?
P1 C4 C9 O3 -159.58(12) . . . . ?
P1 C4 C9 C8 15.6(2) . . . . ?
P1 C5 C6 C7 -6.5(3) . . . . ?
O1 C13 C14 C15 177.59(17) . . . . ?
O4 C5 C6 C7 -178.91(17) . . . . ?
N1 C12 C13 O1 -2.4(2) . . . . ?
N1 C12 C13 C14 176.74(15) . . . . ?
N1 C12 C17 O2 1.5(2) . . . . ?
N1 C12 C17 C16 -177.10(15) . . . . ?
N2 C2 C3 N1 -1.72(16) . . . . ?
N2 C4 C9 O3 12.5(2) . . . . ?
N2 C4 C9 C8 -172.40(15) . . . . ?
C1 N1 C3 C2 -0.50(18) . . . . ?
C1 N1 C12 C13 107.85(19) . . . . ?
C1 N1 C12 C17 -80.7(2) . . . . ?
C1 N2 C2 C3 3.58(18) . . . . ?
C1 N2 C4 P1 -2.58(18) . . . . ?
C1 N2 C4 C9 -175.23(15) . . . . ?
C2 N2 C1 Ru1 172.88(11) . . . . ?
C2 N2 C1 N1 -3.97(18) . . . . ?
C2 N2 C4 P1 -172.11(12) . . . . ?
C2 N2 C4 C9 15.2(2) . . . . ?
C3 N1 C1 Ru1 -173.78(11) . . . . ?
C3 N1 C1 N2 2.70(17) . . . . ?
C3 N1 C12 C13 -75.02(19) . . . . ?
C3 N1 C12 C17 96.47(18) . . . . ?
C4 P1 C5 O4 -125.22(13) . . . . ?
C4 P1 C5 C6 61.65(16) . . . . ?
C4 N2 C1 Ru1 2.26(19) . . . . ?
C4 N2 C1 N1 -174.59(13) . . . . ?
C4 N2 C2 C3 173.82(14) . . . . ?
C5 P1 C4 N2 118.95(12) . . . . ?
C5 P1 C4 C9 -68.22(15) . . . . ?
C5 C6 C7 C8 -35.1(3) . . . . ?
C6 C7 C8 C9 -3.6(3) . . . . ?
C7 C8 C9 O3 -150.24(17) . . . . ?
C7 C8 C9 C4 34.4(3) . . . . ?
C10 O3 C9 C4 -124.38(17) . . . . ?
C10 O3 C9 C8 60.05(19) . . . . ?
C11 O4 C5 P1 -179.55(15) . . . . ?
C11 O4 C5 C6 -6.6(3) . . . . ?
C12 N1 C1 Ru1 3.4(2) . . . . ?
C12 N1 C1 N2 179.91(14) . . . . ?
C12 N1 C3 C2 -178.02(14) . . . . ?
C12 C13 C14 C15 -1.5(3) . . . . ?
C13 C12 C17 O2 173.00(15) . . . . ?
C13 C12 C17 C16 -5.6(2) . . . . ?
C13 C14 C15 C16 -1.8(3) . . . . ?
C14 C15 C16 C17 1.4(3) . . . . ?
C15 C16 C17 O2 -176.11(17) . . . . ?
C15 C16 C17 C12 2.4(3) . . . . ?
C17 C12 C13 O1 -173.98(14) . . . . ?
C17 C12 C13 C14 5.2(2) . . . . ?
C18 O2 C17 C12 175.80(16) . . . . ?
C18 O2 C17 C16 -5.7(3) . . . . ?
C19 O1 C13 C12 -175.95(15) . . . . ?
C19 O1 C13 C14 4.9(2) . . . . ?
C20 C21 C22 Ru1 -62.28(10) . . . . ?
C20 C21 C22 C23 -1.32(18) . . . . ?
C20 C21 C22 C27 171.95(15) . . . . ?
C21 C20 C24 Ru1 63.92(10) . . . . ?
C21 C20 C24 C23 -0.84(17) . . . . ?
C21 C20 C24 C29 -174.84(15) . . . . ?
C21 C22 C23 Ru1 -60.41(11) . . . . ?
C21 C22 C23 C24 0.80(18) . . . . ?
C21 C22 C23 C28 173.48(15) . . . . ?
C22 C23 C24 Ru1 -63.48(11) . . . . ?
C22 C23 C24 C20 0.03(18) . . . . ?
C22 C23 C24 C29 174.12(15) . . . . ?
C24 C20 C21 Ru1 -63.04(10) . . . . ?
C24 C20 C21 C22 1.32(17) . . . . ?
C24 C20 C21 C26 175.87(15) . . . . ?
C25 C20 C21 Ru1 120.97(16) . . . . ?
C25 C20 C21 C22 -174.68(15) . . . . ?
C25 C20 C21 C26 -0.1(3) . . . . ?
C25 C20 C24 Ru1 -120.04(16) . . . . ?
C25 C20 C24 C23 175.21(15) . . . . ?
C25 C20 C24 C29 1.2(3) . . . . ?
C26 C21 C22 Ru1 123.00(16) . . . . ?
C26 C21 C22 C23 -176.03(15) . . . . ?
C26 C21 C22 C27 -2.8(3) . . . . ?
C27 C22 C23 Ru1 126.52(17) . . . . ?
C27 C22 C23 C24 -172.28(16) . . . . ?
C27 C22 C23 C28 0.4(3) . . . . ?
C28 C23 C24 Ru1 123.66(16) . . . . ?
C28 C23 C24 C20 -172.83(15) . . . . ?
C28 C23 C24 C29 1.3(3) . . . . ?
C30 O6 C32 C33 177.8(4) . . . . ?
C32 O6 C30 C31 173.8(3) . . . . ?

_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 1.379
_oxdiff_exptl_absorpt_empirical_full_min 0.740
