# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2384770'
loop_
_audit_author_name
_audit_author_address
'Hao Li'
;Anhui Jianzhu University
China
;
_audit_update_record             
;
2024-09-19 deposited with the CCDC.	2025-01-06 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_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         'C23 H30 Cl2 N3 P Ru, C H Cl3'
_chemical_formula_sum            'C24 H31 Cl5 N3 P Ru'
_chemical_formula_weight         670.81
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   11.8765(4)
_cell_length_b                   11.6572(3)
_cell_length_c                   20.7114(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.282(3)
_cell_angle_gamma                90
_cell_volume                     2844.30(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7219
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.8910
_cell_measurement_theta_min      3.6270
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.898
_exptl_absorpt_coefficient_mu    1.096
_exptl_absorpt_correction_T_max  0.9472
_exptl_absorpt_correction_T_min  0.8983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11345
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.450
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4411
_reflns_number_total             5001
_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 FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.622
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         5001
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0298P)²+4.7195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0742
_refine_ls_wR_factor_ref         0.0778
_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:
 C24(H24)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.23704(2) 0.08967(2) 0.02456(2) 0.01253(8) Uani 1 1 d . . . . .
P1 P 0.25788(6) 0.22778(6) 0.09916(3) 0.01263(16) Uani 1 1 d . . . . .
Cl1 Cl 0.37731(6) 0.16431(6) -0.03862(3) 0.01933(16) Uani 1 1 d . . . . .
Cl2 Cl 0.09597(6) -0.01236(6) 0.07627(3) 0.01559(15) Uani 1 1 d . . . . .
N1 N 0.0993(2) 0.1989(2) -0.01698(11) 0.0146(5) Uani 1 1 d . . . . .
H1 H 0.046(3) 0.153(3) -0.0298(15) 0.014(8) Uiso 1 1 d . . . . .
N2 N 0.2023(2) -0.0440(2) -0.05112(13) 0.0227(6) Uani 1 1 d . . . . .
H2 H 0.149(3) -0.072(3) -0.0421(14) 0.005(8) Uiso 1 1 d . . . . .
N3 N 0.3636(2) -0.0296(2) 0.06087(13) 0.0218(6) Uani 1 1 d . . . . .
H3 H 0.426(3) -0.011(3) 0.0455(16) 0.023(9) Uiso 1 1 d . . . . .
C1 C 0.1227(3) 0.2717(3) -0.07267(14) 0.0222(7) Uani 1 1 d . . . . .
H1A H 0.054117 0.314544 -0.089240 0.033 Uiso 1 1 calc GR . . . .
H1B H 0.145461 0.222908 -0.107313 0.033 Uiso 1 1 calc GR . . . .
H1C H 0.184070 0.325597 -0.058165 0.033 Uiso 1 1 calc GR . . . .
C2 C 0.0517(2) 0.2711(2) 0.03038(14) 0.0159(6) Uani 1 1 d . . . . .
C3 C -0.0573(2) 0.3161(3) 0.01735(15) 0.0205(7) Uani 1 1 d . . . . .
H3A H -0.103180 0.298044 -0.022308 0.025 Uiso 1 1 calc R . . . .
C4 C -0.0986(3) 0.3870(3) 0.06205(17) 0.0271(8) Uani 1 1 d . . . . .
H4 H -0.172835 0.418062 0.053018 0.033 Uiso 1 1 calc R . . . .
C5 C -0.0323(3) 0.4132(3) 0.12018(17) 0.0281(8) Uani 1 1 d . . . . .
H5 H -0.061219 0.461993 0.150953 0.034 Uiso 1 1 calc R . . . .
C6 C 0.0758(3) 0.3682(3) 0.13325(15) 0.0221(7) Uani 1 1 d . . . . .
H6 H 0.121079 0.386014 0.173150 0.027 Uiso 1 1 calc R . . . .
C7 C 0.1187(2) 0.2970(2) 0.08825(14) 0.0156(6) Uani 1 1 d . . . . .
C8 C 0.2795(2) 0.2084(3) 0.18788(13) 0.0164(6) Uani 1 1 d . . . . .
C9 C 0.2173(3) 0.1237(3) 0.21440(15) 0.0247(7) Uani 1 1 d . . . . .
H9 H 0.167648 0.076344 0.186413 0.030 Uiso 1 1 calc R . . . .
C10 C 0.2266(3) 0.1072(3) 0.28128(15) 0.0301(8) Uani 1 1 d . . . . .
H10 H 0.183440 0.049072 0.298878 0.036 Uiso 1 1 calc R . . . .
C11 C 0.2990(3) 0.1760(3) 0.32208(15) 0.0266(7) Uani 1 1 d . . . . .
H11 H 0.305577 0.165097 0.367867 0.032 Uiso 1 1 calc R . . . .
C12 C 0.3611(3) 0.2593(3) 0.29673(15) 0.0296(8) Uani 1 1 d . . . . .
H12 H 0.410756 0.306240 0.324999 0.035 Uiso 1 1 calc R . . . .
C13 C 0.3521(3) 0.2761(3) 0.22984(15) 0.0223(7) Uani 1 1 d . . . . .
H13 H 0.395800 0.334271 0.212682 0.027 Uiso 1 1 calc R . . . .
C14 C 0.3555(2) 0.3454(2) 0.08903(13) 0.0156(6) Uani 1 1 d . . . . .
C15 C 0.3190(3) 0.4560(3) 0.07227(14) 0.0209(7) Uani 1 1 d . . . . .
H15 H 0.240061 0.472057 0.064526 0.025 Uiso 1 1 calc R . . . .
C16 C 0.3963(3) 0.5425(3) 0.06678(16) 0.0286(8) Uani 1 1 d . . . . .
H16 H 0.370022 0.617574 0.055024 0.034 Uiso 1 1 calc R . . . .
C17 C 0.5112(3) 0.5212(3) 0.07819(15) 0.0284(8) Uani 1 1 d . . . . .
H17 H 0.564004 0.581621 0.075192 0.034 Uiso 1 1 calc R . . . .
C18 C 0.5492(3) 0.4116(3) 0.09400(16) 0.0259(7) Uani 1 1 d . . . . .
H18 H 0.628329 0.396307 0.101659 0.031 Uiso 1 1 calc R . . . .
C19 C 0.4724(3) 0.3245(3) 0.09868(15) 0.0215(7) Uani 1 1 d . . . . .
H19 H 0.499202 0.248940 0.108613 0.026 Uiso 1 1 calc R . . . .
C20 C 0.1787(3) -0.0168(3) -0.12090(15) 0.0302(8) Uani 1 1 d . . . . .
H20A H 0.170254 -0.088093 -0.146086 0.045 Uiso 1 1 calc GR . . . .
H20B H 0.241619 0.028107 -0.134177 0.045 Uiso 1 1 calc GR . . . .
H20C H 0.108344 0.027874 -0.128908 0.045 Uiso 1 1 calc GR . . . .
C21 C 0.2961(3) -0.1268(3) -0.04012(18) 0.0310(8) Uani 1 1 d . . . . .
H21A H 0.361139 -0.098928 -0.061248 0.037 Uiso 1 1 calc R . . . .
H21B H 0.271472 -0.201418 -0.059907 0.037 Uiso 1 1 calc R . . . .
C22 C 0.3319(3) -0.1422(3) 0.03111(19) 0.0305(8) Uani 1 1 d . . . . .
H22A H 0.268921 -0.176003 0.051806 0.037 Uiso 1 1 calc R . . . .
H22B H 0.397526 -0.195142 0.038040 0.037 Uiso 1 1 calc R . . . .
C23 C 0.3963(3) -0.0422(3) 0.13129(17) 0.0307(8) Uani 1 1 d . . . . .
H23A H 0.452809 -0.103529 0.139445 0.046 Uiso 1 1 calc GR . . . .
H23B H 0.329218 -0.061582 0.152166 0.046 Uiso 1 1 calc GR . . . .
H23C H 0.428812 0.030024 0.149264 0.046 Uiso 1 1 calc GR . . . .
C24 C 0.6841(3) 0.7242(3) 0.20341(17) 0.0346(8) Uani 1 1 d . . . . .
H24 H 0.673742 0.757615 0.158585 0.042 Uiso 1 1 calc R . . . .
Cl3 Cl 0.76921(14) 0.81596(11) 0.25504(6) 0.0763(4) Uani 1 1 d . . . . .
Cl4 Cl 0.54978(9) 0.70477(11) 0.22937(5) 0.0532(3) Uani 1 1 d . . . . .
Cl5 Cl 0.75148(8) 0.59084(8) 0.20111(5) 0.0364(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.2234(7) . ?
Ru1 Cl1 2.4078(7) . ?
Ru1 Cl2 2.4132(7) . ?
Ru1 N1 2.164(2) . ?
Ru1 N2 2.212(3) . ?
Ru1 N3 2.115(3) . ?
P1 C7 1.828(3) . ?
P1 C8 1.837(3) . ?
P1 C14 1.824(3) . ?
N1 H1 0.84(3) . ?
N1 C1 1.486(4) . ?
N1 C2 1.459(4) . ?
N2 H2 0.75(3) . ?
N2 C20 1.472(4) . ?
N2 C21 1.469(4) . ?
N3 H3 0.87(3) . ?
N3 C22 1.478(4) . ?
N3 C23 1.469(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.392(4) . ?
C2 C7 1.385(4) . ?
C3 H3A 0.9500 . ?
C3 C4 1.376(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.386(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.392(4) . ?
C8 C9 1.387(4) . ?
C8 C13 1.390(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.389(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.364(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(4) . ?
C14 C19 1.399(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.378(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.377(4) . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.494(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 Cl3 1.742(4) . ?
C24 Cl4 1.761(4) . ?
C24 Cl5 1.751(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ru1 Cl1 95.29(3) . . ?
P1 Ru1 Cl2 94.06(3) . . ?
Cl1 Ru1 Cl2 170.54(3) . . ?
N1 Ru1 P1 82.07(7) . . ?
N1 Ru1 Cl1 96.41(7) . . ?
N1 Ru1 Cl2 86.22(7) . . ?
N1 Ru1 N2 93.97(10) . . ?
N2 Ru1 P1 175.58(7) . . ?
N2 Ru1 Cl1 87.09(7) . . ?
N2 Ru1 Cl2 83.66(7) . . ?
N3 Ru1 P1 102.57(8) . . ?
N3 Ru1 Cl1 85.49(8) . . ?
N3 Ru1 Cl2 91.15(8) . . ?
N3 Ru1 N1 174.83(10) . . ?
N3 Ru1 N2 81.30(10) . . ?
C7 P1 Ru1 102.40(9) . . ?
C7 P1 C8 100.80(13) . . ?
C8 P1 Ru1 126.53(10) . . ?
C14 P1 Ru1 118.72(9) . . ?
C14 P1 C7 103.40(13) . . ?
C14 P1 C8 101.39(13) . . ?
Ru1 N1 H1 104(2) . . ?
C1 N1 Ru1 115.96(18) . . ?
C1 N1 H1 109(2) . . ?
C2 N1 Ru1 114.17(17) . . ?
C2 N1 H1 104(2) . . ?
C2 N1 C1 108.6(2) . . ?
Ru1 N2 H2 102(2) . . ?
C20 N2 Ru1 122.6(2) . . ?
C20 N2 H2 106(2) . . ?
C21 N2 Ru1 106.5(2) . . ?
C21 N2 H2 109(2) . . ?
C21 N2 C20 109.9(3) . . ?
Ru1 N3 H3 108(2) . . ?
C22 N3 Ru1 107.70(19) . . ?
C22 N3 H3 105(2) . . ?
C23 N3 Ru1 120.4(2) . . ?
C23 N3 H3 105(2) . . ?
C23 N3 C22 110.3(3) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 N1 121.1(3) . . ?
C7 C2 N1 118.6(2) . . ?
C7 C2 C3 120.2(3) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3A 120.1 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.8(3) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.3(3) . . ?
C7 C6 H6 119.8 . . ?
C2 C7 P1 114.9(2) . . ?
C2 C7 C6 119.4(3) . . ?
C6 C7 P1 125.6(2) . . ?
C9 C8 P1 118.0(2) . . ?
C9 C8 C13 118.4(3) . . ?
C13 C8 P1 123.5(2) . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.0(3) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.6(3) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.5(3) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.4(3) . . ?
C12 C13 H13 119.8 . . ?
C15 C14 P1 122.9(2) . . ?
C15 C14 C19 118.0(3) . . ?
C19 C14 P1 119.1(2) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.7(3) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(3) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 121.1(3) . . ?
C18 C19 H19 119.5 . . ?
N2 C20 H20A 109.5 . . ?
N2 C20 H20B 109.5 . . ?
N2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C21 H21A 109.6 . . ?
N2 C21 H21B 109.6 . . ?
N2 C21 C22 110.4(3) . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 H21A 109.6 . . ?
C22 C21 H21B 109.6 . . ?
N3 C22 C21 109.3(3) . . ?
N3 C22 H22A 109.8 . . ?
N3 C22 H22B 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.3 . . ?
N3 C23 H23A 109.5 . . ?
N3 C23 H23B 109.5 . . ?
N3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Cl3 C24 H24 108.9 . . ?
Cl3 C24 Cl4 111.6(2) . . ?
Cl3 C24 Cl5 109.3(2) . . ?
Cl4 C24 H24 108.9 . . ?
Cl5 C24 H24 108.9 . . ?
Cl5 C24 Cl4 109.2(2) . . ?

# 11 RESULTS (APPEND TO CIF)
_vrf_PLAT910_11                  
;
PROBLEM: ALERT: Missing # of FCF reflections below theta
RESPONSE: This is caused by very weak diffraction due to the poor
quality of the single crystal.
;
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_12
_database_code_depnum_ccdc_archive 'CCDC 2384771'
loop_
_audit_author_name
_audit_author_address
'Hao Li'
;Anhui Jianzhu University
China
;
_audit_update_record             
;
2024-09-19 deposited with the CCDC.	2025-01-06 downloaded from the CCDC.
;
_audit_creation_date             2024-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C25 H34 Cl2 N3 P Ru), C4 H8 O'
_chemical_formula_sum            'C54 H76 Cl4 N6 O P2 Ru2'
_chemical_formula_weight         1231.08
_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'
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      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                   11.2337(17)
_cell_length_b                   11.6564(17)
_cell_length_c                   11.8853(15)
_cell_angle_alpha                88.336(11)
_cell_angle_beta                 89.350(12)
_cell_angle_gamma                76.815(13)
_cell_volume                     1514.6(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2118
_cell_measurement_temperature    125(30)
_cell_measurement_theta_max      69.5710
_cell_measurement_theta_min      4.0280
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.468
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68225
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1404
_diffrn_reflns_av_unetI/netI     0.2107
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8644
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        64.983
_diffrn_reflns_theta_max         64.983
_diffrn_reflns_theta_min         3.721
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      125(30)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4741
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -47.00   30.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5672   37.0000  -30.0000 77

#__ type_ start__ end____ width___ exp.time_
  2 omega  -49.00   35.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5672   37.0000 -180.0000 84

#__ type_ start__ end____ width___ exp.time_
  3 omega    3.00   41.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       40.5672  -99.0000 -120.0000 38

#__ type_ start__ end____ width___ exp.time_
  4 omega   56.00   98.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       40.5672 -125.0000  -30.0000 42

#__ type_ start__ end____ width___ exp.time_
  5 omega   36.00   84.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -45.0000 -120.0000 48

#__ type_ start__ end____ width___ exp.time_
  6 omega   50.00  100.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -94.0000  -90.0000 50

#__ type_ start__ end____ width___ exp.time_
  7 omega   41.00   87.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -94.0000 -150.0000 46

#__ type_ start__ end____ width___ exp.time_
  8 omega   37.00   89.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -30.0000 -180.0000 52

#__ type_ start__ end____ width___ exp.time_
  9 omega   23.00  105.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -94.0000    0.0000 82

#__ type_ start__ end____ width___ exp.time_
 10 omega   36.00   85.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -45.0000    0.0000 49

#__ type_ start__ end____ width___ exp.time_
 11 omega   27.00   86.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  -30.0000  120.0000 59

#__ type_ start__ end____ width___ exp.time_
 12 omega   77.00  176.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446   30.0000  120.0000 99

#__ type_ start__ end____ width___ exp.time_
 13 omega   95.00  120.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  125.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 14 omega  109.00  166.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446  125.0000  -90.0000 57

#__ type_ start__ end____ width___ exp.time_
 15 omega   76.00  163.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446   45.0000   30.0000 87

#__ type_ start__ end____ width___ exp.time_
 16 omega   48.00  122.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      103.3446 -125.0000  150.0000 74

#__ type_ start__ end____ width___ exp.time_
 17 omega -115.00  -13.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5672  -57.0000   30.0000 102
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0623741000
_diffrn_orient_matrix_UB_12      -0.0001104000
_diffrn_orient_matrix_UB_13      0.1147857000
_diffrn_orient_matrix_UB_21      -0.0780465000
_diffrn_orient_matrix_UB_22      0.1245589000
_diffrn_orient_matrix_UB_23      0.0208439000
_diffrn_orient_matrix_UB_31      -0.0992863000
_diffrn_orient_matrix_UB_32      -0.0540819000
_diffrn_orient_matrix_UB_33      0.0566179000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2326
_reflns_number_total             4976
_reflns_odcompleteness_completeness 99.32
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_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, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_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-1997 (Sheldrick, 2008)'
_refine_diff_density_max         1.555
_refine_diff_density_min         -3.344
_refine_diff_density_rms         0.199
_refine_ls_extinction_coef       0.0025(5)
_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   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         4976
_refine_ls_number_restraints     275
_refine_ls_R_factor_all          0.1771
_refine_ls_R_factor_gt           0.1251
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1680P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2891
_refine_ls_wR_factor_ref         0.3539
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C29-C27
 2.5 with sigma of 0.02
 O1-C29
 1.48 with sigma of 0.02
 O1-C29 = O1-C26 = C27-C26 = C28-C27 = C29-C28
 1.48 with sigma of 0.01
 C29-C26
 2.5 with sigma of 0.02
 C29A-C26A
 2.5 with sigma of 0.02
 O1-C26
 1.48 with sigma of 0.01
 O1-C28
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O1 \\sim C29 \\sim C27 \\sim C26 \\sim C28 \\sim C29A \\sim O1A \\sim C26A
\\sim C28A \\sim C27A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O1) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29A) \\sim Ueq, Uanis(O1A) \\sim Ueq,
Uanis(C26A) \\sim Ueq, Uanis(C28A) \\sim Ueq, Uanis(C27A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O1, C29, C27, C26, C28, C29A, O1A, C26A, C28A, C27A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(C29A)=Sof(H29C)=Sof(H29D)=Sof(O1A)=Sof(C26A)=Sof(H26C)=Sof(H26D)=
 Sof(C28A)=Sof(H28C)=Sof(H28D)=Sof(C27A)=Sof(H27C)=Sof(H27D)=0.5*(1-FVAR(2))
 Sof(O1)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(C26)=
 Sof(H26A)=Sof(H26B)=Sof(C28)=Sof(H28A)=Sof(H28B)=0.5*FVAR(2)
 Fixed U11: O1(0.070306) C26(0.069135) C29A(0.071207) O1A(0.072208)
 Fixed U12: O1(-0.000042) C26(-0.000324) C29A(0.000962) O1A(0.003801)
 Fixed U13: O1(-0.001271) C26(-0.000717) C29A(-0.002881) O1A(-0.001554)
 Fixed U22: O1(0.070002) C26(0.069615) C29A(0.06978) O1A(0.071611)
 Fixed U23: O1(-0.000498) C26(-0.000261) C29A(-0.001077) O1A(-0.001471)
 Fixed U33: O1(0.07147) C26(0.07028) C29A(0.07228) O1A(0.07067)
 Fixed X: O1(-0.080311) C29(-0.1458) C27(0.018351) C26(-0.012671) C28(-
 0.04823) C29A(-0.101219) O1A(-0.03569) C26A(0.027101) C28A(-0.12415) C27A(-
 0.01988)
 Fixed Y: O1(0.942209) C29(0.839829) C27(0.79933) C26(0.930679) C28(0.72504)
 C29A(0.86005) O1A(0.914209) C26A(0.82442) C28A(0.75596) C27A(0.719729)
 Fixed Z: O1(0.24496) C29(0.26914) C27(0.11485) C26(0.13566) C28(0.207729)
 C29A(0.244049) O1A(0.153901) C26A(0.073509) C28A(0.18686) C27A(0.10847)
6.a Ternary CH refined with riding coordinates:
 N2(H2), N1(H1), N3(H3)
6.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C21(H21A,H21B), C22(H22A,H22B), C24(H24A,H24B), C29(H29A,
 H29B), C27(H27A,H27B), C26(H26A,H26B), C28(H28A,H28B), C29A(H29C,H29D),
 C26A(H26C,H26D), C28A(H28C,H28D), C27A(H27C,H27D)
6.c Me refined with riding coordinates:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
6.d Aromatic/amide H refined with riding coordinates:
 C12(H12), C11(H11), C10(H10), C9(H9), C8(H8), C16(H16), C17(H17), C14(H14),
 C15(H15), C3(H3A), C2(H2A), C6(H6), C5(H5), C4(H4)
6.e Fitted hexagon refined as free rotating group:
 C7(C12,C11,C10,C9,C8), C16(C17,C18,C13,C14,C15), C3(C2,C1,C6,C5,C4)
6.f Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.56034(8) 0.75178(9) 0.59528(8) 0.0431(5) Uani 1 1 d . . . . .
Cl2 Cl 0.4481(3) 0.6066(3) 0.6545(3) 0.0447(8) Uani 1 1 d . . . . .
Cl1 Cl 0.6547(3) 0.8985(3) 0.5072(3) 0.0430(8) Uani 1 1 d . . . . .
P1 P 0.6874(3) 0.7243(3) 0.7429(3) 0.0431(9) Uani 1 1 d . . . . .
N2 N 0.4283(9) 0.8001(9) 0.4553(8) 0.035(2) Uani 1 1 d . . . . .
H2 H 0.445517 0.871700 0.420105 0.042 Uiso 1 1 calc R . . . .
N1 N 0.4577(10) 0.8922(10) 0.6987(9) 0.043(3) Uani 1 1 d . . . . .
H1 H 0.419133 0.956803 0.647198 0.051 Uiso 1 1 calc R . . . .
N3 N 0.6497(10) 0.6207(10) 0.4792(10) 0.044(3) Uani 1 1 d . . . . .
H3 H 0.618567 0.549838 0.495050 0.052 Uiso 1 1 calc R . . . .
C19 C 0.3572(13) 0.8595(14) 0.7678(13) 0.062(4) Uani 1 1 d . . . . .
H19A H 0.305459 0.827212 0.720006 0.093 Uiso 1 1 calc R . . . .
H19B H 0.392068 0.801865 0.824713 0.093 Uiso 1 1 calc R . . . .
H19C H 0.309870 0.928398 0.802821 0.093 Uiso 1 1 calc R . . . .
C7 C 0.6675(8) 0.6221(7) 0.8597(6) 0.040(3) Uani 1 1 d . . . . .
C12 C 0.6619(9) 0.6548(7) 0.9716(7) 0.056(4) Uani 1 1 d G . . . .
H12 H 0.663045 0.731682 0.989369 0.068 Uiso 1 1 calc R . . . .
C11 C 0.6546(9) 0.5724(10) 1.0569(6) 0.071(5) Uani 1 1 d G . . . .
H11 H 0.650932 0.594257 1.131683 0.085 Uiso 1 1 calc R . . . .
C10 C 0.6529(9) 0.4575(9) 1.0303(7) 0.068(5) Uani 1 1 d G . . . .
H10 H 0.648092 0.402387 1.087326 0.082 Uiso 1 1 calc R . . . .
C9 C 0.6585(8) 0.4249(6) 0.9184(9) 0.052(4) Uani 1 1 d G . . . .
H9 H 0.657363 0.347941 0.900655 0.062 Uiso 1 1 calc R . . . .
C8 C 0.6658(8) 0.5072(7) 0.8332(6) 0.051(4) Uani 1 1 d G . . . .
H8 H 0.669476 0.485364 0.758340 0.061 Uiso 1 1 calc R . . . .
C23 C 0.5999(13) 0.6698(13) 0.3657(12) 0.053(4) Uani 1 1 d . . . . .
H23A H 0.632879 0.737418 0.344685 0.064 Uiso 1 1 calc R . . . .
H23B H 0.625211 0.610544 0.309324 0.064 Uiso 1 1 calc R . . . .
C21 C 0.2945(13) 0.8280(13) 0.4766(14) 0.059(4) Uani 1 1 d . . . . .
H21A H 0.274834 0.891152 0.529814 0.070 Uiso 1 1 calc R . . . .
H21B H 0.272489 0.759257 0.511243 0.070 Uiso 1 1 calc R . . . .
C25 C 0.8344(13) 0.4804(12) 0.5545(13) 0.055(4) Uani 1 1 d . . . . .
H25A H 0.795196 0.417032 0.541041 0.082 Uiso 1 1 calc GR . . . .
H25B H 0.817903 0.506138 0.630196 0.082 Uiso 1 1 calc GR . . . .
H25C H 0.921081 0.453487 0.543882 0.082 Uiso 1 1 calc GR . . . .
C22 C 0.4668(16) 0.7050(14) 0.3693(12) 0.063(5) Uani 1 1 d . . . . .
H22A H 0.433344 0.637558 0.389739 0.076 Uiso 1 1 calc R . . . .
H22B H 0.435788 0.734727 0.295727 0.076 Uiso 1 1 calc R . . . .
C20 C 0.2177(12) 0.8643(14) 0.3723(12) 0.055(4) Uani 1 1 d . . . . .
H20A H 0.132624 0.880865 0.392510 0.083 Uiso 1 1 calc R . . . .
H20B H 0.237026 0.933631 0.338316 0.083 Uiso 1 1 calc R . . . .
H20C H 0.234677 0.801569 0.319722 0.083 Uiso 1 1 calc R . . . .
C24 C 0.7857(12) 0.5822(12) 0.4727(11) 0.045(3) Uani 1 1 d . . . . .
H24A H 0.821436 0.647963 0.489580 0.054 Uiso 1 1 calc R . . . .
H24B H 0.809701 0.558304 0.396665 0.054 Uiso 1 1 calc R . . . .
C16 C 0.5665(8) 1.0983(6) 0.8885(8) 0.058(4) Uani 1 1 d . . . . .
H16 H 0.539908 1.174095 0.915379 0.070 Uiso 1 1 calc R . . . .
C17 C 0.4928(6) 1.0535(7) 0.8163(7) 0.049(4) Uani 1 1 d G . . . .
H17 H 0.416985 1.099333 0.794917 0.059 Uiso 1 1 calc R . . . .
C18 C 0.5325(7) 0.9403(7) 0.7762(7) 0.043(3) Uani 1 1 d G . . . .
C13 C 0.6458(7) 0.8719(6) 0.8082(7) 0.049(4) Uani 1 1 d G . . . .
C14 C 0.7195(6) 0.9166(7) 0.8804(7) 0.042(3) Uani 1 1 d G . . . .
H14 H 0.795286 0.870850 0.901797 0.050 Uiso 1 1 calc R . . . .
C15 C 0.6798(7) 1.0299(8) 0.9205(7) 0.062(5) Uani 1 1 d G . . . .
H15 H 0.729061 1.059852 0.968819 0.075 Uiso 1 1 calc R . . . .
C3 C 1.0332(7) 0.7594(8) 0.6634(7) 0.068(5) Uani 1 1 d . . . . .
H3A H 1.067053 0.808644 0.616102 0.082 Uiso 1 1 calc R . . . .
C2 C 0.9071(7) 0.7729(8) 0.6685(7) 0.052(4) Uani 1 1 d G . . . .
H2A H 0.856584 0.831165 0.624689 0.063 Uiso 1 1 calc R . . . .
C1 C 0.8566(5) 0.6994(8) 0.7392(7) 0.043(3) Uani 1 1 d G . . . .
C6 C 0.9321(7) 0.6123(8) 0.8047(7) 0.054(4) Uani 1 1 d G . . . .
H6 H 0.898296 0.563114 0.851926 0.064 Uiso 1 1 calc R . . . .
C5 C 1.0582(7) 0.5988(7) 0.7995(8) 0.062(4) Uani 1 1 d G . . . .
H5 H 1.108765 0.540591 0.843341 0.075 Uiso 1 1 calc R . . . .
C4 C 1.1088(5) 0.6724(8) 0.7289(9) 0.056(4) Uani 1 1 d G . . . .
H4 H 1.193145 0.663355 0.725429 0.068 Uiso 1 1 calc R . . . .
O1 O -0.080311 0.942209 0.244960 0.073 Uani 0.126(13) 1 d D U P A 1
C29 C -0.145800 0.839829 0.269140 0.071(3) Uani 0.126(13) 1 d D U P A 1
H29A H -0.226016 0.855872 0.234771 0.085 Uiso 0.126(13) 1 calc R . P A 1
H29B H -0.153824 0.825310 0.349336 0.085 Uiso 0.126(13) 1 calc R . P A 1
C27 C 0.018351 0.799330 0.114850 0.071(3) Uani 0.126(13) 1 d D U P A 1
H27A H 0.106278 0.769909 0.118672 0.086 Uiso 0.126(13) 1 calc R . P A 1
H27B H -0.007603 0.786062 0.039714 0.086 Uiso 0.126(13) 1 calc R . P A 1
C26 C -0.012671 0.930679 0.135660 0.072 Uani 0.126(13) 1 d D U P A 1
H26A H 0.061020 0.960313 0.140665 0.087 Uiso 0.126(13) 1 calc R . P A 1
H26B H -0.063405 0.973663 0.075762 0.087 Uiso 0.126(13) 1 calc R . P A 1
C28 C -0.048230 0.725040 0.207729 0.071(3) Uani 0.126(13) 1 d D U P A 1
H28A H 0.009922 0.679830 0.261175 0.085 Uiso 0.126(13) 1 calc R . P A 1
H28B H -0.091517 0.673202 0.171499 0.085 Uiso 0.126(13) 1 calc R . P A 1
C29A C -0.101219 0.860050 0.244049 0.074 Uani 0.374(13) 1 d D U P A 2
H29C H -0.050486 0.837027 0.310081 0.088 Uiso 0.374(13) 1 calc R . P A 2
H29D H -0.177053 0.913345 0.265723 0.088 Uiso 0.374(13) 1 calc R . P A 2
O1A O -0.035690 0.914209 0.153901 0.074 Uani 0.374(13) 1 d . U P A 2
C26A C 0.027101 0.824420 0.073509 0.072(3) Uani 0.374(13) 1 d D U P A 2
H26C H 0.005120 0.848817 -0.003654 0.086 Uiso 0.374(13) 1 calc R . P A 2
H26D H 0.115231 0.809166 0.081184 0.086 Uiso 0.374(13) 1 calc R . P A 2
C28A C -0.124150 0.755960 0.186860 0.071(3) Uani 0.374(13) 1 d . U P A 2
H28C H -0.127607 0.692948 0.241057 0.085 Uiso 0.374(13) 1 calc R . P A 2
H28D H -0.200696 0.776347 0.146033 0.085 Uiso 0.374(13) 1 calc R . P A 2
C27A C -0.019880 0.719729 0.108470 0.070(4) Uani 0.374(13) 1 d . U P A 2
H27C H -0.046109 0.684651 0.042854 0.084 Uiso 0.374(13) 1 calc R . P A 2
H27D H 0.044443 0.661397 0.145209 0.084 Uiso 0.374(13) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl2 2.415(3) . ?
Ru1 Cl1 2.417(3) . ?
Ru1 P1 2.243(3) . ?
Ru1 N2 2.215(9) . ?
Ru1 N1 2.177(11) . ?
Ru1 N3 2.154(11) . ?
P1 C7 1.848(8) . ?
P1 C13 1.866(6) . ?
P1 C1 1.856(6) . ?
N2 H2 0.9800 . ?
N2 C21 1.485(17) . ?
N2 C22 1.516(19) . ?
N1 H1 0.9800 . ?
N1 C19 1.501(16) . ?
N1 C18 1.460(10) . ?
N3 H3 0.9800 . ?
N3 C23 1.512(18) . ?
N3 C24 1.493(16) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C7 C12 1.3900 . ?
C7 C8 1.3900 . ?
C12 H12 0.9300 . ?
C12 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 H8 0.9300 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C22 1.46(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C20 1.51(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C24 1.517(19) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C16 H16 0.9300 . ?
C16 C17 1.3900 . ?
C16 C15 1.3900 . ?
C17 H17 0.9300 . ?
C17 C18 1.3900 . ?
C18 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C3 H3A 0.9300 . ?
C3 C2 1.3900 . ?
C3 C4 1.3900 . ?
C2 H2A 0.9300 . ?
C2 C1 1.3900 . ?
C1 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?
O1 C29 1.5568(2) . ?
O1 C26 1.4914(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C28 1.7012(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C26 1.5177(2) . ?
C27 C28 1.6580(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29A H29C 0.9700 . ?
C29A H29D 0.9700 . ?
C29A O1A 1.4977(2) . ?
C29A C28A 1.4815(2) . ?
O1A C26A 1.4872(2) . ?
C26A H26C 0.9700 . ?
C26A H26D 0.9700 . ?
C26A C27A 1.4832(2) . ?
C28A H28C 0.9700 . ?
C28A H28D 0.9700 . ?
C28A C27A 1.4802(2) . ?
C27A H27C 0.9700 . ?
C27A H27D 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
Cl2 Ru1 Cl1 170.56(11) . . ?
P1 Ru1 Cl2 96.24(12) . . ?
P1 Ru1 Cl1 93.07(11) . . ?
N2 Ru1 Cl2 87.2(3) . . ?
N2 Ru1 Cl1 83.7(3) . . ?
N2 Ru1 P1 173.5(3) . . ?
N1 Ru1 Cl2 95.8(3) . . ?
N1 Ru1 Cl1 87.0(3) . . ?
N1 Ru1 P1 82.1(3) . . ?
N1 Ru1 N2 92.1(4) . . ?
N3 Ru1 Cl2 84.9(3) . . ?
N3 Ru1 Cl1 91.5(3) . . ?
N3 Ru1 P1 103.6(3) . . ?
N3 Ru1 N2 82.2(4) . . ?
N3 Ru1 N1 174.2(4) . . ?
C7 P1 Ru1 120.0(3) . . ?
C7 P1 C13 103.3(4) . . ?
C7 P1 C1 100.4(4) . . ?
C13 P1 Ru1 101.3(3) . . ?
C1 P1 Ru1 127.2(3) . . ?
C1 P1 C13 100.6(4) . . ?
Ru1 N2 H2 105.4 . . ?
C21 N2 Ru1 121.2(9) . . ?
C21 N2 H2 105.4 . . ?
C21 N2 C22 112.4(10) . . ?
C22 N2 Ru1 105.7(9) . . ?
C22 N2 H2 105.4 . . ?
Ru1 N1 H1 106.9 . . ?
C19 N1 Ru1 114.7(8) . . ?
C19 N1 H1 106.9 . . ?
C18 N1 Ru1 114.4(7) . . ?
C18 N1 H1 106.9 . . ?
C18 N1 C19 106.5(10) . . ?
Ru1 N3 H3 107.0 . . ?
C23 N3 Ru1 103.9(9) . . ?
C23 N3 H3 107.0 . . ?
C24 N3 Ru1 121.7(8) . . ?
C24 N3 H3 107.0 . . ?
C24 N3 C23 109.6(11) . . ?
N1 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 . . ?
N1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C12 C7 P1 122.2(5) . . ?
C12 C7 C8 120.0 . . ?
C8 C7 P1 117.7(5) . . ?
C7 C12 H12 120.0 . . ?
C7 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
N3 C23 H23A 109.5 . . ?
N3 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C22 C23 N3 110.6(12) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
N2 C21 H21A 108.7 . . ?
N2 C21 H21B 108.7 . . ?
N2 C21 C20 114.2(13) . . ?
H21A C21 H21B 107.6 . . ?
C20 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
N2 C22 H22A 109.9 . . ?
N2 C22 H22B 109.9 . . ?
C23 C22 N2 109.1(10) . . ?
C23 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C24 C25 111.5(11) . . ?
N3 C24 H24A 109.3 . . ?
N3 C24 H24B 109.3 . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C17 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 N1 121.0(7) . . ?
C17 C18 C13 120.0 . . ?
C13 C18 N1 119.0(7) . . ?
C18 C13 P1 114.5(4) . . ?
C18 C13 C14 120.0 . . ?
C14 C13 P1 125.4(4) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C3 C2 C1 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C2 C1 P1 117.4(5) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 P1 122.6(5) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C26 O1 C29 112.781(9) . . ?
O1 C29 H29A 111.5 . . ?
O1 C29 H29B 111.5 . . ?
O1 C29 C28 101.558(12) . . ?
H29A C29 H29B 109.3 . . ?
C28 C29 H29A 111.5 . . ?
C28 C29 H29B 111.5 . . ?
H27A C27 H27B 107.9 . . ?
C26 C27 H27A 109.2 . . ?
C26 C27 H27B 109.2 . . ?
C26 C27 C28 112.134(11) . . ?
C28 C27 H27A 109.2 . . ?
C28 C27 H27B 109.2 . . ?
O1 C26 C27 104.515(12) . . ?
O1 C26 H26A 110.8 . . ?
O1 C26 H26B 110.8 . . ?
C27 C26 H26A 110.8 . . ?
C27 C26 H26B 110.8 . . ?
H26A C26 H26B 108.9 . . ?
C29 C28 H28A 111.9 . . ?
C29 C28 H28B 111.9 . . ?
C27 C28 C29 99.380(12) . . ?
C27 C28 H28A 111.9 . . ?
C27 C28 H28B 111.9 . . ?
H28A C28 H28B 109.6 . . ?
H29C C29A H29D 109.3 . . ?
O1A C29A H29C 111.5 . . ?
O1A C29A H29D 111.5 . . ?
C28A C29A H29C 111.5 . . ?
C28A C29A H29D 111.5 . . ?
C28A C29A O1A 101.580(12) . . ?
C26A O1A C29A 111.229(10) . . ?
O1A C26A H26C 111.3 . . ?
O1A C26A H26D 111.3 . . ?
H26C C26A H26D 109.2 . . ?
C27A C26A O1A 102.245(11) . . ?
C27A C26A H26C 111.3 . . ?
C27A C26A H26D 111.3 . . ?
C29A C28A H28C 110.7 . . ?
C29A C28A H28D 110.7 . . ?
H28C C28A H28D 108.8 . . ?
C27A C28A C29A 105.322(12) . . ?
C27A C28A H28C 110.7 . . ?
C27A C28A H28D 110.7 . . ?
C26A C27A H27C 109.8 . . ?
C26A C27A H27D 109.8 . . ?
C28A C27A C26A 109.316(13) . . ?
C28A C27A H27C 109.8 . . ?
C28A C27A H27D 109.8 . . ?
H27C C27A H27D 108.3 . . ?

# 12 RESULTS (APPEND TO CIF)
_vrf_PLAT972_12                  
;
PROBLEM: ALERT: Check Calcd Resid. Density 
RESPONSE: This is caused by the Fourier truncation error,
which is unavoidable in metal complexes.
;
_vrf_PLAT973_12                  
;
PROBLEM: ALERT: Check Calcd Resid. Density 
RESPONSE: This is caused by the Fourier truncation error,
which is unavoidable in metal complexes.
;
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_13
_database_code_depnum_ccdc_archive 'CCDC 2384772'
loop_
_audit_author_name
_audit_author_address
'Hao Li'
;Anhui Jianzhu University
China
;
_audit_update_record             
;
2024-09-18 deposited with the CCDC.	2025-01-06 downloaded from the CCDC.
;
_audit_creation_date             2021-01-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C26 H36 Cl2 N3 P Ru), 2(C7 H8)'
_chemical_formula_sum            'C66 H88 Cl4 N6 P2 Ru2'
_chemical_formula_weight         1371.30
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.2517(10)
_cell_length_b                   15.2233(12)
_cell_length_c                   19.4390(14)
_cell_angle_alpha                73.615(7)
_cell_angle_beta                 79.904(7)
_cell_angle_gamma                68.630(7)
_cell_volume                     3228.5(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6630
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      71.6420
_cell_measurement_theta_min      3.8750
_shelx_estimated_absorpt_T_max   0.887
_shelx_estimated_absorpt_T_min   0.887
_exptl_absorpt_coefficient_mu    6.117
_exptl_absorpt_correction_T_max  0.8874
_exptl_absorpt_correction_T_min  0.8874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0914
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22325
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.886
_diffrn_reflns_theta_min         3.887
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9387
_reflns_number_total             12211
_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 FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.695
_refine_diff_density_min         -1.036
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     785
_refine_ls_number_reflns         12211
_refine_ls_number_restraints     576
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      0.995
_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)+(0.0279P)²+2.6300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1107
_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. Rigid bond restraints
 C61, C62, C63, C64, C65, C66, C67, C61A, C62A, C63A, C64A, C65A, C66A, C67A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C61A
\\sim C62A \\sim C63A \\sim C64A \\sim C65A \\sim C66A \\sim C67A: within 14A
with sigma of 0.02 and sigma for terminal atoms of 0.02
4. Others
 Sof(C61A)=Sof(H61A)=Sof(C62A)=Sof(H62A)=Sof(C63A)=Sof(H63A)=Sof(C64A)=
 Sof(H64A)=Sof(C65A)=Sof(H65A)=Sof(C66A)=Sof(C67A)=Sof(H67D)=Sof(H67E)=
 Sof(H67F)=1-FVAR(1)
 Sof(C61)=Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63)=Sof(C64)=Sof(H64)=Sof(C65)=
 Sof(H65)=Sof(C66)=Sof(H66)=Sof(C67)=Sof(H67A)=Sof(H67B)=Sof(H67C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C25(H25A,H25B), C51(H51A,
 H51B), C52(H52A,H52B), C53(H53A,H53B), C55(H55A,H55B)
5.b Me refined with riding coordinates:
 C77(H77A,H77B,H77C), C67(H67A,H67B,H67C), C67A(H67D,H67E,H67F)
5.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C34(H34), C35(H35),
  C36(H36), C37(H37), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44),
 C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C72(H72), C73(H73), C74(H74),
  C75(H75), C76(H76), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66),
 C61A(H61A), C62A(H62A), C63A(H63A), C64A(H64A), C65A(H65A)
5.d Fitted hexagon refined as free rotating group:
 C61(C62,C63,C64,C65,C66), C61A(C62A,C63A,C64A,C65A,C66A)
5.e Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C54(H54A,H54B,H54C), C56(H56A,H56B,
 H56C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.65833(3) 0.37634(2) 0.33608(2) 0.01615(8) Uani 1 1 d . . . . .
P1 P 0.67782(9) 0.24240(7) 0.42394(6) 0.0162(2) Uani 1 1 d . . . . .
Cl1 Cl 0.85984(8) 0.31637(7) 0.28640(5) 0.0203(2) Uani 1 1 d . . . . .
Cl2 Cl 0.45451(8) 0.45871(7) 0.36792(5) 0.0204(2) Uani 1 1 d . . . . .
N1 N 0.7346(3) 0.4130(3) 0.41695(19) 0.0174(7) Uani 1 1 d . . . . .
N2 N 0.6575(3) 0.5064(3) 0.24717(19) 0.0207(8) Uani 1 1 d . . . . .
H2 H 0.731(6) 0.509(4) 0.250(3) 0.039(17) Uiso 1 1 d . . . . .
N3 N 0.6039(3) 0.3372(3) 0.2533(2) 0.0237(8) Uani 1 1 d . . . . .
H3 H 0.677(6) 0.299(5) 0.238(4) 0.05(2) Uiso 1 1 d . . . . .
C1 C 0.7856(4) 0.4907(3) 0.3806(2) 0.0227(9) Uani 1 1 d . . . . .
H1A H 0.815122 0.508644 0.416465 0.034 Uiso 1 1 calc GR . . . .
H1B H 0.724825 0.547633 0.355582 0.034 Uiso 1 1 calc GR . . . .
H1C H 0.850417 0.467142 0.345701 0.034 Uiso 1 1 calc GR . . . .
C2 C 0.6429(4) 0.4518(3) 0.4732(2) 0.0256(10) Uani 1 1 d . . . . .
H2A H 0.680079 0.466079 0.507552 0.038 Uiso 1 1 calc GR . . . .
H2B H 0.605611 0.403265 0.498658 0.038 Uiso 1 1 calc GR . . . .
H2C H 0.583299 0.511408 0.450133 0.038 Uiso 1 1 calc GR . . . .
C3 C 0.8230(4) 0.3238(3) 0.4542(2) 0.0192(8) Uani 1 1 d . . . . .
C4 C 0.9205(4) 0.3265(3) 0.4795(2) 0.0225(9) Uani 1 1 d . . . . .
H4 H 0.931903 0.386812 0.473515 0.027 Uiso 1 1 calc R . . . .
C5 C 1.0021(4) 0.2399(4) 0.5141(2) 0.0254(9) Uani 1 1 d . . . . .
H5 H 1.069655 0.241534 0.530702 0.031 Uiso 1 1 calc R . . . .
C6 C 0.9847(4) 0.1516(4) 0.5242(2) 0.0262(10) Uani 1 1 d . . . . .
H6 H 1.039994 0.092919 0.547759 0.031 Uiso 1 1 calc R . . . .
C7 C 0.8859(4) 0.1498(3) 0.4996(2) 0.0237(9) Uani 1 1 d . . . . .
H7 H 0.873412 0.089783 0.506600 0.028 Uiso 1 1 calc R . . . .
C8 C 0.8054(4) 0.2351(3) 0.4649(2) 0.0185(8) Uani 1 1 d . . . . .
C9 C 0.5682(4) 0.2372(3) 0.5012(2) 0.0179(8) Uani 1 1 d . . . . .
C10 C 0.5961(4) 0.2170(4) 0.5722(3) 0.0267(10) Uani 1 1 d . . . . .
H10 H 0.675315 0.201710 0.581541 0.032 Uiso 1 1 calc R . . . .
C11 C 0.5098(4) 0.2190(4) 0.6289(3) 0.0306(11) Uani 1 1 d . . . . .
H11 H 0.530589 0.205390 0.676613 0.037 Uiso 1 1 calc R . . . .
C12 C 0.3938(4) 0.2405(3) 0.6169(3) 0.0253(9) Uani 1 1 d . . . . .
H12 H 0.334842 0.242586 0.655930 0.030 Uiso 1 1 calc R . . . .
C13 C 0.3650(4) 0.2589(3) 0.5475(2) 0.0234(9) Uani 1 1 d . . . . .
H13 H 0.285785 0.272471 0.538936 0.028 Uiso 1 1 calc R . . . .
C14 C 0.4510(4) 0.2577(3) 0.4894(2) 0.0218(9) Uani 1 1 d . . . . .
H14 H 0.429654 0.270798 0.441956 0.026 Uiso 1 1 calc R . . . .
C15 C 0.7154(4) 0.1225(3) 0.4045(2) 0.0194(8) Uani 1 1 d . . . . .
C16 C 0.6724(4) 0.0503(3) 0.4481(3) 0.0264(10) Uani 1 1 d . . . . .
H16 H 0.629796 0.058664 0.492880 0.032 Uiso 1 1 calc R . . . .
C17 C 0.6920(4) -0.0346(3) 0.4260(3) 0.0307(11) Uani 1 1 d . . . . .
H17 H 0.661033 -0.082962 0.455289 0.037 Uiso 1 1 calc R . . . .
C18 C 0.7562(4) -0.0480(3) 0.3616(3) 0.0305(11) Uani 1 1 d . . . . .
H18 H 0.768590 -0.105291 0.346473 0.037 Uiso 1 1 calc R . . . .
C19 C 0.8028(4) 0.0223(3) 0.3190(3) 0.0276(10) Uani 1 1 d . . . . .
H19 H 0.848758 0.012561 0.275315 0.033 Uiso 1 1 calc R . . . .
C20 C 0.7815(4) 0.1067(3) 0.3407(2) 0.0251(10) Uani 1 1 d . . . . .
H20 H 0.812899 0.154837 0.311356 0.030 Uiso 1 1 calc R . . . .
C21 C 0.6567(4) 0.4769(3) 0.1804(2) 0.0259(10) Uani 1 1 d . . . . .
H21A H 0.736475 0.434603 0.167337 0.031 Uiso 1 1 calc R . . . .
H21B H 0.633943 0.535112 0.140235 0.031 Uiso 1 1 calc R . . . .
C22 C 0.5712(4) 0.4233(3) 0.1927(2) 0.0249(9) Uani 1 1 d . . . . .
H22A H 0.490907 0.466603 0.203503 0.030 Uiso 1 1 calc R . . . .
H22B H 0.571421 0.402751 0.148656 0.030 Uiso 1 1 calc R . . . .
C23 C 0.5700(4) 0.6035(3) 0.2497(3) 0.0240(9) Uani 1 1 d . . . . .
H23A H 0.554223 0.609884 0.300125 0.029 Uiso 1 1 calc R . . . .
H23B H 0.495344 0.608960 0.233160 0.029 Uiso 1 1 calc R . . . .
C24 C 0.6123(4) 0.6861(3) 0.2029(3) 0.0281(10) Uani 1 1 d . . . . .
H24A H 0.550089 0.748463 0.203648 0.042 Uiso 1 1 calc GR . . . .
H24B H 0.631441 0.678348 0.153337 0.042 Uiso 1 1 calc GR . . . .
H24C H 0.682538 0.684232 0.221620 0.042 Uiso 1 1 calc GR . . . .
C25 C 0.5185(4) 0.2860(3) 0.2720(3) 0.0268(10) Uani 1 1 d . . . . .
H25A H 0.442923 0.329661 0.289371 0.032 Uiso 1 1 calc R . . . .
H25B H 0.546182 0.228968 0.312417 0.032 Uiso 1 1 calc R . . . .
C26 C 0.4958(6) 0.2513(5) 0.2110(3) 0.0456(14) Uani 1 1 d . . . . .
H26A H 0.444769 0.211638 0.229822 0.068 Uiso 1 1 calc GR . . . .
H26B H 0.570721 0.212457 0.190485 0.068 Uiso 1 1 calc GR . . . .
H26C H 0.457404 0.307661 0.173539 0.068 Uiso 1 1 calc GR . . . .
Ru2 Ru 1.09165(3) 0.65084(2) 0.21733(2) 0.01672(8) Uani 1 1 d . . . . .
P2 P 1.03856(9) 0.78093(7) 0.12689(6) 0.0177(2) Uani 1 1 d . . . . .
Cl3 Cl 0.89809(8) 0.68167(7) 0.28070(6) 0.0230(2) Uani 1 1 d . . . . .
Cl4 Cl 1.29089(8) 0.59892(7) 0.16491(5) 0.0222(2) Uani 1 1 d . . . . .
N4 N 1.1433(3) 0.7533(2) 0.25739(19) 0.0174(7) Uani 1 1 d . . . . .
N5 N 1.1614(4) 0.5205(3) 0.3061(2) 0.0230(8) Uani 1 1 d . . . . .
H5A H 1.219(7) 0.518(6) 0.311(4) 0.06(3) Uiso 1 1 d . . . . .
N6 N 1.0624(3) 0.5453(3) 0.1759(2) 0.0216(8) Uani 1 1 d . . . . .
H6A H 1.135(5) 0.537(4) 0.144(3) 0.024(13) Uiso 1 1 d . . . . .
C31 C 1.2304(4) 0.6985(3) 0.3116(2) 0.0250(9) Uani 1 1 d . . . . .
H31A H 1.249372 0.744176 0.330305 0.038 Uiso 1 1 calc GR . . . .
H31B H 1.302062 0.658349 0.289071 0.038 Uiso 1 1 calc GR . . . .
H31C H 1.197479 0.656769 0.351110 0.038 Uiso 1 1 calc GR . . . .
C32 C 1.0400(4) 0.8195(3) 0.2920(2) 0.0230(9) Uani 1 1 d . . . . .
H32A H 1.065584 0.863326 0.308801 0.035 Uiso 1 1 calc GR . . . .
H32B H 1.005071 0.781067 0.332955 0.035 Uiso 1 1 calc GR . . . .
H32C H 0.981476 0.857779 0.256938 0.035 Uiso 1 1 calc GR . . . .
C33 C 1.1908(4) 0.8152(3) 0.1954(2) 0.0199(8) Uani 1 1 d . . . . .
C34 C 1.2775(4) 0.8507(3) 0.2013(2) 0.0245(9) Uani 1 1 d . . . . .
H34 H 1.310625 0.833838 0.245799 0.029 Uiso 1 1 calc R . . . .
C35 C 1.3152(4) 0.9108(3) 0.1416(3) 0.0290(10) Uani 1 1 d . . . . .
H35 H 1.374225 0.935220 0.145810 0.035 Uiso 1 1 calc R . . . .
C36 C 1.2690(4) 0.9361(3) 0.0761(3) 0.0262(10) Uani 1 1 d . . . . .
H36 H 1.296614 0.976694 0.035542 0.031 Uiso 1 1 calc R . . . .
C37 C 1.1809(4) 0.9012(3) 0.0703(2) 0.0226(9) Uani 1 1 d . . . . .
H37 H 1.147671 0.918698 0.025755 0.027 Uiso 1 1 calc R . . . .
C38 C 1.1419(4) 0.8408(3) 0.1297(2) 0.0186(8) Uani 1 1 d . . . . .
C39 C 1.0564(4) 0.7738(3) 0.0321(2) 0.0224(9) Uani 1 1 d . . . . .
C40 C 1.1526(5) 0.7010(4) 0.0101(3) 0.0367(12) Uani 1 1 d . . . . .
H40 H 1.207944 0.657201 0.043313 0.044 Uiso 1 1 calc R . . . .
C41 C 1.1675(5) 0.6925(4) -0.0607(3) 0.0426(14) Uani 1 1 d . . . . .
H41 H 1.232750 0.642087 -0.075074 0.051 Uiso 1 1 calc R . . . .
C42 C 1.0896(5) 0.7558(4) -0.1101(3) 0.0361(12) Uani 1 1 d . . . . .
H42 H 1.100761 0.749369 -0.158313 0.043 Uiso 1 1 calc R . . . .
C43 C 0.9956(5) 0.8284(4) -0.0888(3) 0.0390(13) Uani 1 1 d . . . . .
H43 H 0.941568 0.872746 -0.122582 0.047 Uiso 1 1 calc R . . . .
C44 C 0.9786(5) 0.8378(3) -0.0181(3) 0.0306(11) Uani 1 1 d . . . . .
H44 H 0.913140 0.888514 -0.004124 0.037 Uiso 1 1 calc R . . . .
C45 C 0.8934(4) 0.8762(3) 0.1294(2) 0.0216(9) Uani 1 1 d . . . . .
C46 C 0.8797(4) 0.9728(3) 0.1255(2) 0.0241(9) Uani 1 1 d . . . . .
H46 H 0.946995 0.991159 0.122081 0.029 Uiso 1 1 calc R . . . .
C47 C 0.7683(4) 1.0419(3) 0.1264(3) 0.0288(10) Uani 1 1 d . . . . .
H47 H 0.759859 1.107576 0.122720 0.035 Uiso 1 1 calc R . . . .
C48 C 0.6702(4) 1.0158(4) 0.1327(3) 0.0346(12) Uani 1 1 d . . . . .
H48 H 0.594169 1.063330 0.133605 0.042 Uiso 1 1 calc R . . . .
C49 C 0.6822(4) 0.9199(4) 0.1377(3) 0.0380(13) Uani 1 1 d . . . . .
H49 H 0.614219 0.901950 0.142064 0.046 Uiso 1 1 calc R . . . .
C50 C 0.7933(4) 0.8501(4) 0.1363(3) 0.0303(11) Uani 1 1 d . . . . .
H50 H 0.801183 0.784534 0.140057 0.036 Uiso 1 1 calc R . . . .
C51 C 1.1793(4) 0.4362(3) 0.2753(3) 0.0270(10) Uani 1 1 d . . . . .
H51A H 1.186937 0.377046 0.314705 0.032 Uiso 1 1 calc R . . . .
H51B H 1.252859 0.424686 0.243304 0.032 Uiso 1 1 calc R . . . .
C52 C 1.0776(4) 0.4560(3) 0.2337(3) 0.0293(10) Uani 1 1 d . . . . .
H52A H 1.091226 0.400508 0.212592 0.035 Uiso 1 1 calc R . . . .
H52B H 1.004947 0.463207 0.266524 0.035 Uiso 1 1 calc R . . . .
C53 C 1.0929(4) 0.5154(3) 0.3767(2) 0.0235(9) Uani 1 1 d . . . . .
H53A H 1.020352 0.503222 0.373049 0.028 Uiso 1 1 calc R . . . .
H53B H 1.069270 0.579066 0.388878 0.028 Uiso 1 1 calc R . . . .
C54 C 1.1603(4) 0.4362(3) 0.4376(2) 0.0247(9) Uani 1 1 d . . . . .
H54A H 1.114200 0.441983 0.483736 0.037 Uiso 1 1 calc GR . . . .
H54B H 1.236121 0.443692 0.438459 0.037 Uiso 1 1 calc GR . . . .
H54C H 1.173581 0.372135 0.429714 0.037 Uiso 1 1 calc GR . . . .
C55 C 0.9566(4) 0.5743(3) 0.1372(3) 0.0275(10) Uani 1 1 d . . . . .
H55A H 0.953730 0.633445 0.098589 0.033 Uiso 1 1 calc R . . . .
H55B H 0.886209 0.591162 0.171087 0.033 Uiso 1 1 calc R . . . .
C56 C 0.9508(5) 0.4969(4) 0.1037(3) 0.0331(11) Uani 1 1 d . . . . .
H56A H 0.883463 0.524194 0.074369 0.050 Uiso 1 1 calc GR . . . .
H56B H 0.941729 0.441533 0.141967 0.050 Uiso 1 1 calc GR . . . .
H56C H 1.023407 0.475172 0.073396 0.050 Uiso 1 1 calc GR . . . .
C71 C 1.2043(5) 0.0888(4) 0.3141(3) 0.0395(13) Uani 1 1 d . . . . .
C72 C 1.3237(5) 0.0333(5) 0.3032(4) 0.0493(15) Uani 1 1 d . . . . .
H72 H 1.344690 -0.010484 0.272843 0.059 Uiso 1 1 calc R . . . .
C73 C 1.4108(5) 0.0407(4) 0.3353(4) 0.0449(14) Uani 1 1 d . . . . .
H73 H 1.490479 0.002022 0.327439 0.054 Uiso 1 1 calc R . . . .
C74 C 1.3814(5) 0.1044(4) 0.3785(3) 0.0370(12) Uani 1 1 d . . . . .
H74 H 1.440370 0.108942 0.401922 0.044 Uiso 1 1 calc R . . . .
C75 C 1.2656(5) 0.1620(4) 0.3879(3) 0.0403(13) Uani 1 1 d . . . . .
H75 H 1.245891 0.206993 0.417157 0.048 Uiso 1 1 calc R . . . .
C76 C 1.1786(5) 0.1556(4) 0.3560(3) 0.0368(12) Uani 1 1 d . . . . .
H76 H 1.099992 0.197164 0.362478 0.044 Uiso 1 1 calc R . . . .
C77 C 1.1090(6) 0.0775(5) 0.2823(4) 0.064(2) Uani 1 1 d . . . . .
H77A H 1.143484 0.027527 0.254716 0.097 Uiso 1 1 calc R . . . .
H77B H 1.053169 0.058214 0.320900 0.097 Uiso 1 1 calc R . . . .
H77C H 1.067931 0.139391 0.250333 0.097 Uiso 1 1 calc R . . . .
C61 C 0.6507(7) 0.7390(5) -0.0476(4) 0.056(2) Uani 0.665(8) 1 d . U P A 2
C62 C 0.6898(5) 0.6472(6) -0.0614(4) 0.057(2) Uani 0.665(8) 1 d G U P A 2
H62 H 0.761078 0.626818 -0.090247 0.068 Uiso 0.665(8) 1 calc R . P A 2
C63 C 0.6245(7) 0.5853(4) -0.0331(4) 0.053(2) Uani 0.665(8) 1 d G U P A 2
H63 H 0.651250 0.522607 -0.042547 0.064 Uiso 0.665(8) 1 calc R . P A 2
C64 C 0.5202(6) 0.6152(5) 0.0091(4) 0.045(2) Uani 0.665(8) 1 d G U P A 2
H64 H 0.475621 0.572849 0.028468 0.053 Uiso 0.665(8) 1 calc R . P A 2
C65 C 0.4811(5) 0.7069(5) 0.0230(4) 0.050(2) Uani 0.665(8) 1 d G U P A 2
H65 H 0.409819 0.727302 0.051782 0.060 Uiso 0.665(8) 1 calc R . P A 2
C66 C 0.5464(7) 0.7688(4) -0.0054(4) 0.0461(19) Uani 0.665(8) 1 d G U P A 2
H66 H 0.519647 0.831515 0.004082 0.055 Uiso 0.665(8) 1 calc R . P A 2
C67 C 0.7149(11) 0.8099(9) -0.0803(8) 0.077(3) Uani 0.665(8) 1 d . U P A 2
H67A H 0.673898 0.870035 -0.064141 0.116 Uiso 0.665(8) 1 calc R . P A 2
H67B H 0.795213 0.781923 -0.065268 0.116 Uiso 0.665(8) 1 calc R . P A 2
H67C H 0.717507 0.824147 -0.132841 0.116 Uiso 0.665(8) 1 calc R . P A 2
C61A C 0.7100(13) 0.6884(12) -0.0424(9) 0.063(3) Uani 0.335(8) 1 d . U P A 1
H61A H 0.781067 0.702401 -0.058547 0.076 Uiso 0.335(8) 1 calc R . P A 1
C62A C 0.7047(12) 0.5989(11) -0.0426(10) 0.060(3) Uani 0.335(8) 1 d G U P A 1
H62A H 0.772054 0.551569 -0.058786 0.072 Uiso 0.335(8) 1 calc R . P A 1
C63A C 0.6007(15) 0.5784(9) -0.0190(11) 0.058(3) Uani 0.335(8) 1 d G U P A 1
H63A H 0.597053 0.517199 -0.019132 0.070 Uiso 0.335(8) 1 calc R . P A 1
C64A C 0.5021(11) 0.6476(13) 0.0047(11) 0.055(3) Uani 0.335(8) 1 d G U P A 1
H64A H 0.431063 0.633660 0.020761 0.066 Uiso 0.335(8) 1 calc R . P A 1
C65A C 0.5075(12) 0.7372(11) 0.0048(10) 0.056(3) Uani 0.335(8) 1 d G U P A 1
H65A H 0.440073 0.784493 0.021000 0.067 Uiso 0.335(8) 1 calc R . P A 1
C66A C 0.6114(16) 0.7576(9) -0.0188(10) 0.058(3) Uani 0.335(8) 1 d G U P A 1
C67A C 0.608(2) 0.8487(16) -0.0147(13) 0.064(3) Uani 0.335(8) 1 d . U P A 1
H67D H 0.684820 0.856513 -0.032357 0.097 Uiso 0.335(8) 1 calc R . P A 1
H67E H 0.547521 0.899507 -0.044329 0.097 Uiso 0.335(8) 1 calc R . P A 1
H67F H 0.589627 0.854104 0.035384 0.097 Uiso 0.335(8) 1 calc R . P A 1


_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 2.2261(11) . ?
Ru1 Cl1 2.4249(10) . ?
Ru1 Cl2 2.4093(10) . ?
Ru1 N1 2.246(3) . ?
Ru1 N2 2.229(3) . ?
Ru1 N3 2.143(4) . ?
P1 C8 1.831(4) . ?
P1 C9 1.835(4) . ?
P1 C15 1.845(4) . ?
N1 C1 1.484(5) . ?
N1 C2 1.502(5) . ?
N1 C3 1.479(5) . ?
N2 H2 0.93(6) . ?
N2 C21 1.491(6) . ?
N2 C23 1.484(5) . ?
N3 H3 0.92(7) . ?
N3 C22 1.476(6) . ?
N3 C25 1.461(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.389(6) . ?
C3 C8 1.396(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.401(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(6) . ?
C9 C10 1.402(6) . ?
C9 C14 1.400(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.401(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.394(6) . ?
C15 C20 1.386(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.401(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.381(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(7) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.499(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.531(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.530(7) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
Ru2 P2 2.2212(11) . ?
Ru2 Cl3 2.4191(10) . ?
Ru2 Cl4 2.4079(10) . ?
Ru2 N4 2.240(3) . ?
Ru2 N5 2.235(4) . ?
Ru2 N6 2.147(3) . ?
P2 C38 1.826(4) . ?
P2 C39 1.846(5) . ?
P2 C45 1.843(4) . ?
N4 C31 1.481(5) . ?
N4 C32 1.492(5) . ?
N4 C33 1.481(5) . ?
N5 H5A 0.71(7) . ?
N5 C51 1.494(6) . ?
N5 C53 1.474(6) . ?
N6 H6A 0.98(5) . ?
N6 C52 1.474(6) . ?
N6 C55 1.476(6) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.388(6) . ?
C33 C38 1.400(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.385(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.381(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.397(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.390(6) . ?
C39 C40 1.393(7) . ?
C39 C44 1.386(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.392(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.376(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.373(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.394(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.398(6) . ?
C45 C50 1.396(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.387(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.373(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.390(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.390(7) . ?
C50 H50 0.9500 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.497(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C54 1.534(6) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.525(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C71 C72 1.410(8) . ?
C71 C76 1.395(8) . ?
C71 C77 1.494(8) . ?
C72 H72 0.9500 . ?
C72 C73 1.379(9) . ?
C73 H73 0.9500 . ?
C73 C74 1.369(8) . ?
C74 H74 0.9500 . ?
C74 C75 1.382(8) . ?
C75 H75 0.9500 . ?
C75 C76 1.367(8) . ?
C76 H76 0.9500 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C61 C67 1.498(12) . ?
C62 H62 0.9500 . ?
C62 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C66 1.3900 . ?
C66 H66 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C61A H61A 0.9500 . ?
C61A C62A 1.3900 . ?
C61A C66A 1.3900 . ?
C62A H62A 0.9500 . ?
C62A C63A 1.3900 . ?
C63A H63A 0.9500 . ?
C63A C64A 1.3900 . ?
C64A H64A 0.9500 . ?
C64A C65A 1.3900 . ?
C65A H65A 0.9500 . ?
C65A C66A 1.3900 . ?
C66A C67A 1.40(2) . ?
C67A H67D 0.9800 . ?
C67A H67E 0.9800 . ?
C67A H67F 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
P1 Ru1 Cl1 93.16(4) . . ?
P1 Ru1 Cl2 96.48(4) . . ?
P1 Ru1 N1 80.38(10) . . ?
P1 Ru1 N2 174.53(11) . . ?
Cl2 Ru1 Cl1 170.31(4) . . ?
N1 Ru1 Cl1 85.41(9) . . ?
N1 Ru1 Cl2 97.16(9) . . ?
N2 Ru1 Cl1 81.71(10) . . ?
N2 Ru1 Cl2 88.69(10) . . ?
N2 Ru1 N1 97.23(14) . . ?
N3 Ru1 P1 100.58(11) . . ?
N3 Ru1 Cl1 88.56(11) . . ?
N3 Ru1 Cl2 88.70(11) . . ?
N3 Ru1 N1 173.93(14) . . ?
N3 Ru1 N2 81.29(15) . . ?
C8 P1 Ru1 101.02(14) . . ?
C8 P1 C9 102.5(2) . . ?
C8 P1 C15 105.03(19) . . ?
C9 P1 Ru1 121.83(14) . . ?
C9 P1 C15 102.21(19) . . ?
C15 P1 Ru1 121.48(15) . . ?
C1 N1 Ru1 109.9(3) . . ?
C1 N1 C2 106.1(3) . . ?
C2 N1 Ru1 112.2(3) . . ?
C3 N1 Ru1 108.9(2) . . ?
C3 N1 C1 112.1(3) . . ?
C3 N1 C2 107.6(3) . . ?
Ru1 N2 H2 100(4) . . ?
C21 N2 Ru1 104.7(3) . . ?
C21 N2 H2 109(4) . . ?
C23 N2 Ru1 121.0(3) . . ?
C23 N2 H2 108(4) . . ?
C23 N2 C21 112.7(4) . . ?
Ru1 N3 H3 98(4) . . ?
C22 N3 Ru1 108.5(3) . . ?
C22 N3 H3 104(4) . . ?
C25 N3 Ru1 119.4(3) . . ?
C25 N3 H3 112(4) . . ?
C25 N3 C22 112.7(4) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 N1 121.8(4) . . ?
C4 C3 C8 119.7(4) . . ?
C8 C3 N1 118.4(4) . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.7(4) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(4) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.4(4) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.8 . . ?
C8 C7 C6 120.4(4) . . ?
C8 C7 H7 119.8 . . ?
C3 C8 P1 114.6(3) . . ?
C7 C8 P1 125.0(3) . . ?
C7 C8 C3 120.3(4) . . ?
C10 C9 P1 122.5(3) . . ?
C14 C9 P1 119.5(3) . . ?
C14 C9 C10 118.0(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.0(4) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(5) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 119.1(4) . . ?
C13 C12 H12 120.5 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.9(4) . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 120.2(4) . . ?
C9 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 P1 122.8(3) . . ?
C20 C15 P1 118.2(3) . . ?
C20 C15 C16 118.8(4) . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.1(4) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.5(5) . . ?
C20 C19 H19 120.3 . . ?
C15 C20 C19 121.4(4) . . ?
C15 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
N2 C21 H21A 109.8 . . ?
N2 C21 H21B 109.8 . . ?
N2 C21 C22 109.6(4) . . ?
H21A C21 H21B 108.2 . . ?
C22 C21 H21A 109.8 . . ?
C22 C21 H21B 109.8 . . ?
N3 C22 C21 109.9(4) . . ?
N3 C22 H22A 109.7 . . ?
N3 C22 H22B 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
N2 C23 H23A 109.2 . . ?
N2 C23 H23B 109.2 . . ?
N2 C23 C24 112.2(4) . . ?
H23A C23 H23B 107.9 . . ?
C24 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
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 . . ?
N3 C25 H25A 108.4 . . ?
N3 C25 H25B 108.4 . . ?
N3 C25 C26 115.3(4) . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
P2 Ru2 Cl3 95.03(4) . . ?
P2 Ru2 Cl4 92.42(4) . . ?
P2 Ru2 N4 81.06(10) . . ?
P2 Ru2 N5 174.88(12) . . ?
Cl4 Ru2 Cl3 172.36(4) . . ?
N4 Ru2 Cl3 96.25(10) . . ?
N4 Ru2 Cl4 86.59(9) . . ?
N5 Ru2 Cl3 89.62(11) . . ?
N5 Ru2 Cl4 83.01(11) . . ?
N5 Ru2 N4 96.32(14) . . ?
N6 Ru2 P2 100.39(11) . . ?
N6 Ru2 Cl3 89.75(11) . . ?
N6 Ru2 Cl4 87.22(11) . . ?
N6 Ru2 N4 173.69(14) . . ?
N6 Ru2 N5 81.74(15) . . ?
C38 P2 Ru2 100.89(14) . . ?
C38 P2 C39 103.44(19) . . ?
C38 P2 C45 104.1(2) . . ?
C39 P2 Ru2 123.00(14) . . ?
C45 P2 Ru2 121.94(14) . . ?
C45 P2 C39 100.7(2) . . ?
C31 N4 Ru2 110.3(3) . . ?
C31 N4 C32 107.7(3) . . ?
C32 N4 Ru2 111.6(3) . . ?
C33 N4 Ru2 108.9(2) . . ?
C33 N4 C31 111.3(3) . . ?
C33 N4 C32 107.0(3) . . ?
Ru2 N5 H5A 108(6) . . ?
C51 N5 Ru2 104.4(3) . . ?
C51 N5 H5A 105(7) . . ?
C53 N5 Ru2 117.7(3) . . ?
C53 N5 H5A 107(6) . . ?
C53 N5 C51 113.1(4) . . ?
Ru2 N6 H6A 93(3) . . ?
C52 N6 Ru2 108.1(3) . . ?
C52 N6 H6A 108(3) . . ?
C52 N6 C55 113.5(4) . . ?
C55 N6 Ru2 119.0(3) . . ?
C55 N6 H6A 113(3) . . ?
N4 C31 H31A 109.5 . . ?
N4 C31 H31B 109.5 . . ?
N4 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N4 C32 H32A 109.5 . . ?
N4 C32 H32B 109.5 . . ?
N4 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 N4 122.5(4) . . ?
C34 C33 C38 119.9(4) . . ?
C38 C33 N4 117.5(4) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.4(4) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 119.2 . . ?
C36 C35 C34 121.6(5) . . ?
C36 C35 H35 119.2 . . ?
C35 C36 H36 120.5 . . ?
C35 C36 C37 119.1(4) . . ?
C37 C36 H36 120.5 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.1(4) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 P2 115.6(3) . . ?
C37 C38 P2 124.2(3) . . ?
C37 C38 C33 119.9(4) . . ?
C40 C39 P2 118.4(4) . . ?
C44 C39 P2 123.0(4) . . ?
C44 C39 C40 118.6(4) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 C39 119.9(5) . . ?
C41 C40 H40 120.1 . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.3(5) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.5 . . ?
C43 C42 C41 118.9(5) . . ?
C43 C42 H42 120.5 . . ?
C42 C43 H43 119.6 . . ?
C42 C43 C44 120.7(5) . . ?
C44 C43 H43 119.6 . . ?
C39 C44 C43 120.5(5) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C46 C45 P2 122.9(4) . . ?
C50 C45 P2 118.2(3) . . ?
C50 C45 C46 118.9(4) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.5(5) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.3(5) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.1(5) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 119.9 . . ?
C48 C49 C50 120.1(5) . . ?
C50 C49 H49 119.9 . . ?
C45 C50 H50 119.9 . . ?
C49 C50 C45 120.1(5) . . ?
C49 C50 H50 119.9 . . ?
N5 C51 H51A 109.6 . . ?
N5 C51 H51B 109.6 . . ?
N5 C51 C52 110.2(4) . . ?
H51A C51 H51B 108.1 . . ?
C52 C51 H51A 109.6 . . ?
C52 C51 H51B 109.6 . . ?
N6 C52 C51 110.7(4) . . ?
N6 C52 H52A 109.5 . . ?
N6 C52 H52B 109.5 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 108.1 . . ?
N5 C53 H53A 108.9 . . ?
N5 C53 H53B 108.9 . . ?
N5 C53 C54 113.6(4) . . ?
H53A C53 H53B 107.7 . . ?
C54 C53 H53A 108.9 . . ?
C54 C53 H53B 108.9 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N6 C55 H55A 108.6 . . ?
N6 C55 H55B 108.6 . . ?
N6 C55 C56 114.5(4) . . ?
H55A C55 H55B 107.6 . . ?
C56 C55 H55A 108.6 . . ?
C56 C55 H55B 108.6 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C72 C71 C77 122.2(5) . . ?
C76 C71 C72 116.8(5) . . ?
C76 C71 C77 121.0(5) . . ?
C71 C72 H72 119.0 . . ?
C73 C72 C71 122.0(5) . . ?
C73 C72 H72 119.0 . . ?
C72 C73 H73 120.3 . . ?
C74 C73 C72 119.4(5) . . ?
C74 C73 H73 120.3 . . ?
C73 C74 H74 120.2 . . ?
C73 C74 C75 119.6(5) . . ?
C75 C74 H74 120.2 . . ?
C74 C75 H75 119.3 . . ?
C76 C75 C74 121.5(5) . . ?
C76 C75 H75 119.3 . . ?
C71 C76 H76 119.7 . . ?
C75 C76 C71 120.6(5) . . ?
C75 C76 H76 119.7 . . ?
C71 C77 H77A 109.5 . . ?
C71 C77 H77B 109.5 . . ?
C71 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 C67 121.7(8) . . ?
C66 C61 C67 118.2(8) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C61 C67 H67A 109.5 . . ?
C61 C67 H67B 109.5 . . ?
C61 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C62A C61A H61A 120.0 . . ?
C62A C61A C66A 120.0 . . ?
C66A C61A H61A 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C61A C62A C63A 120.0 . . ?
C63A C62A H62A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
C62A C63A C64A 120.0 . . ?
C64A C63A H63A 120.0 . . ?
C63A C64A H64A 120.0 . . ?
C63A C64A C65A 120.0 . . ?
C65A C64A H64A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C66A C65A C64A 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C61A C66A C67A 124.6(17) . . ?
C65A C66A C61A 120.0 . . ?
C65A C66A C67A 115.3(17) . . ?
C66A C67A H67D 109.5 . . ?
C66A C67A H67E 109.5 . . ?
C66A C67A H67F 109.5 . . ?
H67D C67A H67E 109.5 . . ?
H67D C67A H67F 109.5 . . ?
H67E C67A H67F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
