# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_9819
_database_code_depnum_ccdc_archive 'CCDC 1830666'
loop_
_audit_author_name
_audit_author_address
'Ming Huang'
;Sun Yat-sen University
China
;
_audit_update_record             
;
2018-03-19 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2017-07-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C41 H43 Cl N2 P Ru, Cl'
_chemical_formula_sum            'C41 H43 Cl2 N2 P Ru'
_chemical_formula_weight         766.71
_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'
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                   10.0105(3)
_cell_length_b                   11.3092(4)
_cell_length_c                   19.0850(7)
_cell_angle_alpha                85.671(3)
_cell_angle_beta                 78.534(3)
_cell_angle_gamma                67.010(3)
_cell_volume                     1949.31(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11478
_cell_measurement_temperature    282.72(10)
_cell_measurement_theta_max      66.8900
_cell_measurement_theta_min      4.2050
_shelx_estimated_absorpt_T_max   0.628
_shelx_estimated_absorpt_T_min   0.476
_exptl_absorpt_coefficient_mu    5.122
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22685
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.090
_diffrn_reflns_theta_max         67.090
_diffrn_reflns_theta_min         4.247
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      282.72(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5058
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   16.00  115.00   1.0000    3.5000
omega____ theta____ kappa____ phi______ frames
    -       40.7938   38.0000  -90.0000 99

#__ type_ start__ end____ width___ exp.time_
  2 omega   64.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000  -90.0000 35

#__ type_ start__ end____ width___ exp.time_
  3 omega   78.00  126.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   61.0000 -120.0000 48

#__ type_ start__ end____ width___ exp.time_
  4 omega  123.00  151.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000 -120.0000 28

#__ type_ start__ end____ width___ exp.time_
  5 omega  123.00  150.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000  -90.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  122.00  154.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  -60.0000 32

#__ type_ start__ end____ width___ exp.time_
  7 omega  120.00  171.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000 -180.0000 51

#__ type_ start__ end____ width___ exp.time_
  8 omega  112.00  138.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  126.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
  9 omega  114.00  167.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  126.0000   60.0000 53

#__ type_ start__ end____ width___ exp.time_
 10 omega  120.00  146.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  126.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 11 omega  117.00  153.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  120.0000 36

#__ type_ start__ end____ width___ exp.time_
 12 omega   73.00  111.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  126.0000   60.0000 38

#__ type_ start__ end____ width___ exp.time_
 13 omega   62.00   97.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -30.0000 35

#__ type_ start__ end____ width___ exp.time_
 14 omega   72.00  106.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  126.0000  -60.0000 34

#__ type_ start__ end____ width___ exp.time_
 15 omega   65.00  106.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   30.0000 -180.0000 41

#__ type_ start__ end____ width___ exp.time_
 16 omega   27.00   53.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -90.0000 -111.2419 26

#__ type_ start__ end____ width___ exp.time_
 17 omega   45.00   70.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -88.0000 -150.9619 25

#__ type_ start__ end____ width___ exp.time_
 18 omega   64.00  123.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000 -150.8211 59

#__ type_ start__ end____ width___ exp.time_
 19 omega   98.00  130.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -90.0000 -111.2419 32

#__ type_ start__ end____ width___ exp.time_
 20 omega   81.00  108.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000    2.0079 27

#__ type_ start__ end____ width___ exp.time_
 21 omega   63.00   89.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000  -20.9206 26

#__ type_ start__ end____ width___ exp.time_
 22 omega   35.00   74.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000    0.0000 39

#__ type_ start__ end____ width___ exp.time_
 23 omega   57.00  110.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -91.0000   86.6200 53

#__ type_ start__ end____ width___ exp.time_
 24 omega   80.00  106.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -90.0000  162.6949 26

#__ type_ start__ end____ width___ exp.time_
 25 omega   42.00   68.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -95.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 26 omega   37.00   62.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -90.0000  162.6949 25

#__ type_ start__ end____ width___ exp.time_
 27 omega   20.00  108.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000   55.4295 88

#__ type_ start__ end____ width___ exp.time_
 28 omega   33.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   15.0000  150.0000 66

#__ type_ start__ end____ width___ exp.time_
 29 omega   68.00   93.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   45.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
 30 omega   20.00  115.00   1.0000    3.5000
omega____ theta____ kappa____ phi______ frames
    -       40.7938   57.0000  150.0000 95

#__ type_ start__ end____ width___ exp.time_
 31 omega   21.00   63.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000    2.0079 42

#__ type_ start__ end____ width___ exp.time_
 32 omega   31.00   88.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000 -126.0000   60.0000 57

#__ type_ start__ end____ width___ exp.time_
 33 omega    9.00   45.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000  -20.9206 36

#__ type_ start__ end____ width___ exp.time_
 34 omega   23.00   50.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -45.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
 35 omega   12.00   78.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -95.0000 -120.0000 66

#__ type_ start__ end____ width___ exp.time_
 36 omega   34.00   78.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000 -126.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
 37 omega   19.00   89.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000 -126.0000 -150.0000 70

#__ type_ start__ end____ width___ exp.time_
 38 omega   11.00   36.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -93.0000 -150.8211 25

#__ type_ start__ end____ width___ exp.time_
 39 omega  -15.00   80.00   1.0000    3.5000
omega____ theta____ kappa____ phi______ frames
    -       40.7938  -99.0000   30.0000 95

#__ type_ start__ end____ width___ exp.time_
 40 omega   10.00   76.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -95.0000  120.0000 66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0495842000
_diffrn_orient_matrix_UB_12      -0.0603701000
_diffrn_orient_matrix_UB_13      -0.0752199000
_diffrn_orient_matrix_UB_21      -0.1489079000
_diffrn_orient_matrix_UB_22      0.0894392000
_diffrn_orient_matrix_UB_23      -0.0196655000
_diffrn_orient_matrix_UB_31      0.0655646000
_diffrn_orient_matrix_UB_32      0.1012560000
_diffrn_orient_matrix_UB_33      -0.0271883000
_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              'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6356
_reflns_number_total             6911
_reflns_odcompleteness_completeness 99.28
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.541
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6911
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0301
_refine_ls_restrained_S_all      1.037
_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)+(0.0400P)²+1.4621P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0759
_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:
 C38(H38)
2.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C25(H25), C9(H9), C8(H8), C1(H1), C17(H17), C19(H19),
 C11(H11), C33(H33), C20(H20), C21(H21), C28(H28), C2(H2), C18(H18), C12(H12),
 C26(H26), C31(H31), C15(H15), C27(H27), C13(H13), C14(H14)
2.d Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C35(H35A,H35B,H35C), C41(H41A,H41B,H41C), C40(H40A,H40B,
 H40C), C39(H39A,H39B,H39C), C36(H36A,H36B,H36C)
;
_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 0.57863(2) 0.88418(2) 0.21299(2) 0.01571(7) Uani 1 1 d . . . . .
Cl1 Cl 0.51830(6) 0.84715(5) 0.33843(3) 0.02148(12) Uani 1 1 d . . . . .
P1 P 0.71542(6) 0.66254(5) 0.20605(3) 0.01736(13) Uani 1 1 d . . . . .
Cl2 Cl 1.25540(8) 0.84092(8) 0.00825(4) 0.04133(17) Uani 1 1 d . . . . .
N1 N 0.8138(2) 0.94271(19) 0.27818(11) 0.0192(4) Uani 1 1 d . . . . .
N2 N 0.9021(2) 0.85005(18) 0.17590(10) 0.0186(4) Uani 1 1 d . . . . .
C3 C 0.7745(3) 0.8972(2) 0.22433(12) 0.0172(5) Uani 1 1 d . . . . .
C29 C 0.7160(3) 1.0388(2) 0.33141(13) 0.0191(5) Uani 1 1 d . . . . .
C4 C 0.3458(2) 1.0454(2) 0.22790(13) 0.0202(5) Uani 1 1 d . . . . .
C5 C 0.4475(3) 1.0936(2) 0.18964(13) 0.0198(5) Uani 1 1 d . . . . .
H5 H 0.451546 1.167994 0.205141 0.024 Uiso 1 1 calc R . . . .
C7 C 0.5361(3) 0.9203(2) 0.09922(12) 0.0208(5) Uani 1 1 d . . . . .
C6 C 0.5463(3) 1.0287(2) 0.12623(13) 0.0205(5) Uani 1 1 d . . . . .
H6 H 0.617826 1.058507 0.102759 0.025 Uiso 1 1 calc R . . . .
C24 C 0.8859(3) 0.5886(2) 0.14001(13) 0.0210(5) Uani 1 1 d . . . . .
C25 C 0.9442(3) 0.4545(2) 0.13538(13) 0.0233(5) Uani 1 1 d . . . . .
H25 H 0.891849 0.408844 0.161957 0.028 Uiso 1 1 calc R . . . .
C9 C 0.3432(3) 0.9305(2) 0.20279(13) 0.0215(5) Uani 1 1 d . . . . .
H9 H 0.279865 0.894485 0.229181 0.026 Uiso 1 1 calc R . . . .
C8 C 0.4334(3) 0.8718(2) 0.13981(13) 0.0224(5) Uani 1 1 d . . . . .
H8 H 0.426472 0.799114 0.123764 0.027 Uiso 1 1 calc R . . . .
C1 C 0.9631(3) 0.9209(2) 0.26260(14) 0.0239(5) Uani 1 1 d . . . . .
H1 H 1.015132 0.942787 0.291227 0.029 Uiso 1 1 calc R . . . .
C34 C 0.6642(3) 1.1664(2) 0.30782(14) 0.0227(5) Uani 1 1 d . . . . .
C17 C 0.7326(3) 0.5105(2) 0.33214(14) 0.0257(5) Uani 1 1 d . . . . .
H17 H 0.650786 0.497875 0.323603 0.031 Uiso 1 1 calc R . . . .
C16 C 0.7905(3) 0.5856(2) 0.28578(13) 0.0203(5) Uani 1 1 d . . . . .
C23 C 0.9673(3) 0.6568(2) 0.10149(12) 0.0195(5) Uani 1 1 d . . . . .
C38 C 0.2345(3) 1.1099(2) 0.29317(14) 0.0245(5) Uani 1 1 d . . . . .
H38 H 0.214141 1.042731 0.323503 0.029 Uiso 1 1 calc R . . . .
C19 C 0.9155(3) 0.4710(2) 0.40455(14) 0.0288(6) Uani 1 1 d . . . . .
H19 H 0.956553 0.433324 0.444304 0.035 Uiso 1 1 calc R . . . .
C30 C 0.6911(3) 1.0060(2) 0.40300(13) 0.0218(5) Uani 1 1 d . . . . .
C11 C 0.6130(3) 0.5169(3) 0.13025(14) 0.0281(6) Uani 1 1 d . . . . .
H11 H 0.697276 0.502400 0.095457 0.034 Uiso 1 1 calc R . . . .
C33 C 0.5742(3) 1.2602(2) 0.35830(15) 0.0266(5) Uani 1 1 d . . . . .
H33 H 0.535136 1.345215 0.343622 0.032 Uiso 1 1 calc R . . . .
C20 C 0.9751(3) 0.5448(3) 0.35858(16) 0.0318(6) Uani 1 1 d . . . . .
H20 H 1.057424 0.556398 0.367258 0.038 Uiso 1 1 calc R . . . .
C21 C 0.9141(3) 0.6020(2) 0.29955(15) 0.0271(6) Uani 1 1 d . . . . .
H21 H 0.955514 0.651617 0.268917 0.032 Uiso 1 1 calc R . . . .
C37 C 0.7089(3) 1.2038(3) 0.23192(14) 0.0278(6) Uani 1 1 d . . . . .
H37A H 0.808823 1.198411 0.224532 0.042 Uiso 1 1 calc GR . . . .
H37B H 0.644597 1.290151 0.223437 0.042 Uiso 1 1 calc GR . . . .
H37C H 0.701827 1.146491 0.199490 0.042 Uiso 1 1 calc GR . . . .
C22 C 0.9179(3) 0.8007(2) 0.10448(12) 0.0201(5) Uani 1 1 d . . . . .
H22A H 0.988852 0.826218 0.071397 0.024 Uiso 1 1 calc R . . . .
H22B H 0.823768 0.840046 0.088710 0.024 Uiso 1 1 calc R . . . .
C35 C 0.7621(3) 0.8708(2) 0.42879(14) 0.0266(5) Uani 1 1 d . . . . .
H35A H 0.734149 0.814412 0.405168 0.040 Uiso 1 1 calc GR . . . .
H35B H 0.730056 0.867327 0.479490 0.040 Uiso 1 1 calc GR . . . .
H35C H 0.867527 0.844413 0.418166 0.040 Uiso 1 1 calc GR . . . .
C28 C 1.1032(3) 0.5890(2) 0.05884(13) 0.0242(5) Uani 1 1 d . . . . .
H28 H 1.158058 0.633480 0.033264 0.029 Uiso 1 1 calc R . . . .
C2 C 1.0183(3) 0.8627(2) 0.19877(14) 0.0235(5) Uani 1 1 d . . . . .
H2 H 1.115581 0.836094 0.174637 0.028 Uiso 1 1 calc R . . . .
C18 C 0.7942(3) 0.4536(3) 0.39107(14) 0.0300(6) Uani 1 1 d . . . . .
H18 H 0.753538 0.403436 0.421693 0.036 Uiso 1 1 calc R . . . .
C41 C 0.6230(3) 0.8602(3) 0.02850(14) 0.0278(6) Uani 1 1 d . . . . .
H41A H 0.674792 0.911767 0.004422 0.042 Uiso 1 1 calc GR . . . .
H41B H 0.557086 0.854692 -0.000255 0.042 Uiso 1 1 calc GR . . . .
H41C H 0.692736 0.775535 0.036088 0.042 Uiso 1 1 calc GR . . . .
C12 C 0.5075(4) 0.4703(3) 0.12025(17) 0.0367(7) Uani 1 1 d . . . . .
H12 H 0.521930 0.424909 0.078903 0.044 Uiso 1 1 calc R . . . .
C26 C 1.0785(3) 0.3886(2) 0.09185(14) 0.0265(5) Uani 1 1 d . . . . .
H26 H 1.114717 0.299633 0.088230 0.032 Uiso 1 1 calc R . . . .
C31 C 0.6007(3) 1.1042(3) 0.45162(14) 0.0264(5) Uani 1 1 d . . . . .
H31 H 0.580088 1.084060 0.499664 0.032 Uiso 1 1 calc R . . . .
C10 C 0.5925(3) 0.5845(2) 0.19183(13) 0.0216(5) Uani 1 1 d . . . . .
C15 C 0.4631(3) 0.6082(2) 0.24284(15) 0.0257(5) Uani 1 1 d . . . . .
H15 H 0.446362 0.655839 0.283603 0.031 Uiso 1 1 calc R . . . .
C27 C 1.1580(3) 0.4561(3) 0.05395(14) 0.0273(5) Uani 1 1 d . . . . .
H27 H 1.248746 0.412412 0.025019 0.033 Uiso 1 1 calc R . . . .
C32 C 0.5408(3) 1.2312(3) 0.42991(15) 0.0284(6) Uani 1 1 d . . . . .
C40 C 0.2843(3) 1.1848(3) 0.33817(15) 0.0328(6) Uani 1 1 d . . . . .
H40A H 0.375716 1.129283 0.351856 0.049 Uiso 1 1 calc GR . . . .
H40B H 0.210518 1.217204 0.380240 0.049 Uiso 1 1 calc GR . . . .
H40C H 0.298086 1.255308 0.310797 0.049 Uiso 1 1 calc GR . . . .
C13 C 0.3827(3) 0.4915(3) 0.17139(18) 0.0384(7) Uani 1 1 d . . . . .
H13 H 0.313483 0.459390 0.164911 0.046 Uiso 1 1 calc R . . . .
C14 C 0.3599(3) 0.5607(3) 0.23268(17) 0.0339(6) Uani 1 1 d . . . . .
H14 H 0.275041 0.575220 0.267082 0.041 Uiso 1 1 calc R . . . .
C39 C 0.0908(3) 1.1964(3) 0.26773(16) 0.0345(6) Uani 1 1 d . . . . .
H39A H 0.102959 1.270478 0.244078 0.052 Uiso 1 1 calc GR . . . .
H39B H 0.011457 1.223305 0.308170 0.052 Uiso 1 1 calc GR . . . .
H39C H 0.068225 1.149368 0.235081 0.052 Uiso 1 1 calc GR . . . .
C36 C 0.4407(4) 1.3353(3) 0.48294(18) 0.0415(7) Uani 1 1 d . . . . .
H36A H 0.465498 1.409641 0.473763 0.062 Uiso 1 1 calc GR . . . .
H36B H 0.452872 1.305055 0.530530 0.062 Uiso 1 1 calc GR . . . .
H36C H 0.339986 1.357665 0.478302 0.062 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.3964(6) . ?
Ru1 P1 2.3394(6) . ?
Ru1 C3 2.076(2) . ?
Ru1 C4 2.309(2) . ?
Ru1 C5 2.275(2) . ?
Ru1 C7 2.272(2) . ?
Ru1 C6 2.215(2) . ?
Ru1 C9 2.252(2) . ?
Ru1 C8 2.254(2) . ?
P1 C24 1.841(2) . ?
P1 C16 1.839(3) . ?
P1 C10 1.839(2) . ?
N1 C3 1.369(3) . ?
N1 C29 1.453(3) . ?
N1 C1 1.389(3) . ?
N2 C3 1.358(3) . ?
N2 C22 1.468(3) . ?
N2 C2 1.380(3) . ?
C29 C34 1.401(4) . ?
C29 C30 1.388(3) . ?
C4 C5 1.395(3) . ?
C4 C9 1.430(3) . ?
C4 C38 1.509(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.440(3) . ?
C7 C6 1.411(4) . ?
C7 C8 1.421(4) . ?
C7 C41 1.500(3) . ?
C6 H6 0.9300 . ?
C24 C25 1.399(3) . ?
C24 C23 1.402(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.386(4) . ?
C9 H9 0.9300 . ?
C9 C8 1.386(4) . ?
C8 H8 0.9300 . ?
C1 H1 0.9300 . ?
C1 C2 1.339(4) . ?
C34 C33 1.388(4) . ?
C34 C37 1.508(4) . ?
C17 H17 0.9300 . ?
C17 C16 1.381(4) . ?
C17 C18 1.384(4) . ?
C16 C21 1.396(4) . ?
C23 C22 1.507(3) . ?
C23 C28 1.393(3) . ?
C38 H38 0.9800 . ?
C38 C40 1.522(4) . ?
C38 C39 1.539(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(4) . ?
C19 C18 1.377(4) . ?
C30 C35 1.503(4) . ?
C30 C31 1.396(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.400(4) . ?
C11 C10 1.388(4) . ?
C33 H33 0.9300 . ?
C33 C32 1.387(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(4) . ?
C21 H21 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C28 H28 0.9300 . ?
C28 C27 1.387(4) . ?
C2 H2 0.9300 . ?
C18 H18 0.9300 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.374(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.379(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.390(4) . ?
C10 C15 1.402(4) . ?
C15 H15 0.9300 . ?
C15 C14 1.386(4) . ?
C27 H27 0.9300 . ?
C32 C36 1.507(4) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C14 1.388(5) . ?
C14 H14 0.9300 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ru1 Cl1 84.97(2) . . ?
C3 Ru1 Cl1 91.80(6) . . ?
C3 Ru1 P1 85.14(6) . . ?
C3 Ru1 C4 127.74(9) . . ?
C3 Ru1 C5 99.50(9) . . ?
C3 Ru1 C7 112.92(9) . . ?
C3 Ru1 C6 92.12(9) . . ?
C3 Ru1 C9 163.89(9) . . ?
C3 Ru1 C8 148.47(9) . . ?
C4 Ru1 Cl1 85.30(6) . . ?
C4 Ru1 P1 145.94(6) . . ?
C5 Ru1 Cl1 108.60(6) . . ?
C5 Ru1 P1 165.37(6) . . ?
C5 Ru1 C4 35.42(9) . . ?
C7 Ru1 Cl1 155.12(6) . . ?
C7 Ru1 P1 99.28(6) . . ?
C7 Ru1 C4 77.50(9) . . ?
C7 Ru1 C5 66.11(9) . . ?
C6 Ru1 Cl1 145.84(7) . . ?
C6 Ru1 P1 129.17(7) . . ?
C6 Ru1 C4 65.77(9) . . ?
C6 Ru1 C5 37.38(9) . . ?
C6 Ru1 C7 36.63(9) . . ?
C6 Ru1 C9 77.63(9) . . ?
C6 Ru1 C8 65.67(9) . . ?
C9 Ru1 Cl1 89.97(7) . . ?
C9 Ru1 P1 110.98(6) . . ?
C9 Ru1 C4 36.52(9) . . ?
C9 Ru1 C5 64.84(9) . . ?
C9 Ru1 C7 65.54(9) . . ?
C9 Ru1 C8 35.83(9) . . ?
C8 Ru1 Cl1 119.27(7) . . ?
C8 Ru1 P1 91.98(6) . . ?
C8 Ru1 C4 65.02(9) . . ?
C8 Ru1 C5 76.77(9) . . ?
C8 Ru1 C7 36.60(9) . . ?
C24 P1 Ru1 122.91(8) . . ?
C16 P1 Ru1 116.55(8) . . ?
C16 P1 C24 97.09(11) . . ?
C10 P1 Ru1 107.79(8) . . ?
C10 P1 C24 105.23(11) . . ?
C10 P1 C16 105.56(11) . . ?
C3 N1 C29 126.83(19) . . ?
C3 N1 C1 110.6(2) . . ?
C1 N1 C29 119.27(19) . . ?
C3 N2 C22 125.8(2) . . ?
C3 N2 C2 112.1(2) . . ?
C2 N2 C22 121.9(2) . . ?
N1 C3 Ru1 132.57(17) . . ?
N2 C3 Ru1 123.80(16) . . ?
N2 C3 N1 103.53(19) . . ?
C34 C29 N1 116.3(2) . . ?
C30 C29 N1 120.8(2) . . ?
C30 C29 C34 122.5(2) . . ?
C5 C4 Ru1 70.96(13) . . ?
C5 C4 C9 118.4(2) . . ?
C5 C4 C38 123.7(2) . . ?
C9 C4 Ru1 69.56(13) . . ?
C9 C4 C38 117.8(2) . . ?
C38 C4 Ru1 132.90(17) . . ?
Ru1 C5 H5 129.9 . . ?
C4 C5 Ru1 73.61(13) . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
C6 C5 Ru1 69.06(13) . . ?
C6 C5 H5 119.9 . . ?
C6 C7 Ru1 69.52(13) . . ?
C6 C7 C8 117.7(2) . . ?
C6 C7 C41 122.6(2) . . ?
C8 C7 Ru1 71.03(14) . . ?
C8 C7 C41 119.6(2) . . ?
C41 C7 Ru1 133.44(17) . . ?
Ru1 C6 H6 124.7 . . ?
C5 C6 Ru1 73.56(13) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 Ru1 73.85(13) . . ?
C7 C6 C5 120.9(2) . . ?
C7 C6 H6 119.6 . . ?
C25 C24 P1 116.45(18) . . ?
C25 C24 C23 119.2(2) . . ?
C23 C24 P1 123.90(18) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.1(2) . . ?
C26 C25 H25 119.4 . . ?
Ru1 C9 H9 126.4 . . ?
C4 C9 Ru1 73.93(13) . . ?
C4 C9 H9 119.4 . . ?
C8 C9 Ru1 72.18(14) . . ?
C8 C9 C4 121.2(2) . . ?
C8 C9 H9 119.4 . . ?
Ru1 C8 H8 128.7 . . ?
C7 C8 Ru1 72.37(13) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 Ru1 71.99(14) . . ?
C9 C8 C7 121.4(2) . . ?
C9 C8 H8 119.3 . . ?
N1 C1 H1 126.3 . . ?
C2 C1 N1 107.4(2) . . ?
C2 C1 H1 126.3 . . ?
C29 C34 C37 122.4(2) . . ?
C33 C34 C29 117.3(2) . . ?
C33 C34 C37 120.2(2) . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.1(2) . . ?
C18 C17 H17 119.4 . . ?
C17 C16 P1 123.39(19) . . ?
C17 C16 C21 118.2(2) . . ?
C21 C16 P1 118.37(18) . . ?
C24 C23 C22 123.7(2) . . ?
C28 C23 C24 119.0(2) . . ?
C28 C23 C22 117.3(2) . . ?
C4 C38 H38 107.7 . . ?
C4 C38 C40 114.9(2) . . ?
C4 C38 C39 107.4(2) . . ?
C40 C38 H38 107.7 . . ?
C40 C38 C39 111.3(2) . . ?
C39 C38 H38 107.7 . . ?
C20 C19 H19 120.4 . . ?
C20 C19 C18 119.3(2) . . ?
C18 C19 H19 120.4 . . ?
C29 C30 C35 122.0(2) . . ?
C29 C30 C31 117.7(2) . . ?
C31 C30 C35 120.3(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.3(3) . . ?
C34 C33 H33 118.9 . . ?
C32 C33 C34 122.1(2) . . ?
C32 C33 H33 118.9 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.7(3) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.3(2) . . ?
C20 C21 H21 119.8 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N2 C22 C23 113.71(19) . . ?
N2 C22 H22A 108.8 . . ?
N2 C22 H22B 108.8 . . ?
C23 C22 H22A 108.8 . . ?
C23 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C23 C28 H28 119.5 . . ?
C27 C28 C23 121.0(2) . . ?
C27 C28 H28 119.5 . . ?
N2 C2 H2 126.8 . . ?
C1 C2 N2 106.4(2) . . ?
C1 C2 H2 126.8 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H18 119.9 . . ?
C7 C41 H41A 109.5 . . ?
C7 C41 H41B 109.5 . . ?
C7 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 119.9 . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.5(2) . . ?
C27 C26 H26 120.3 . . ?
C30 C31 H31 119.2 . . ?
C32 C31 C30 121.6(2) . . ?
C32 C31 H31 119.2 . . ?
C11 C10 P1 123.5(2) . . ?
C11 C10 C15 119.0(2) . . ?
C15 C10 P1 117.09(19) . . ?
C10 C15 H15 119.9 . . ?
C14 C15 C10 120.2(3) . . ?
C14 C15 H15 119.9 . . ?
C28 C27 H27 119.9 . . ?
C26 C27 C28 120.2(2) . . ?
C26 C27 H27 119.9 . . ?
C33 C32 C31 118.7(2) . . ?
C33 C32 C36 120.6(3) . . ?
C31 C32 C36 120.7(3) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(3) . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C32 C36 H36A 109.5 . . ?
C32 C36 H36B 109.5 . . ?
C32 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.014 0.123 0.091 33.7 10.2 ?
2 0.000 0.000 0.500 215.8 59.1 ?
3 -0.014 -0.123 0.909 33.7 10.2 ?


_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_19042408
_database_code_depnum_ccdc_archive 'CCDC 1912108'
loop_
_audit_author_name
_audit_author_address
Ru
;Sun Yatsen University
China
;
_audit_update_record             
;
2019-04-25 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2019-04-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.1(C38 H37 Cl N2 P Ru), 0.1(F6 P)'
_chemical_formula_sum            'C3.90 H3.79 Cl0.10 F0.62 N0.21 P0.21 Ru0.10'
_chemical_formula_weight         85.55
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N  Cl Ru F'
_chemical_oxdiff_usercomment     2019.4.22-rU-2
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'
F F 0.0727 0.0534 '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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.44120(10)
_cell_length_b                   11.3932(2)
_cell_length_c                   29.2341(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3477.65(8)
_cell_formula_units_Z            39
_cell_measurement_reflns_used    8900
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      74.0390
_cell_measurement_theta_min      4.1180
_shelx_estimated_absorpt_T_max   0.596
_shelx_estimated_absorpt_T_min   0.206
_exptl_absorpt_coefficient_mu    5.783
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14160
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.204
_diffrn_reflns_theta_min         4.165
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -29.00   1.00    1.00    --  -41.14 125.00  30.00   60
  2  ω   -110.00 -30.00   1.00    1.00    --  -41.14 -38.00  60.00   80
  3  ω    -26.00   0.00   1.00    1.00    --   41.14 -57.00  30.00   26
  4  ω     37.00  63.00   1.00    2.93    --  107.79 -61.00-150.00   26
  5  ω     37.00  66.00   1.00    2.93    --  107.79 -61.00-180.00   29
  6  ω     86.00 135.00   1.00    2.93    --  107.79 -61.00-150.00   49
  7  ω     29.00  94.00   1.00    2.93    --  107.79 -94.00 -90.00   65
  8  ω     32.00 140.00   1.00    2.93    --  107.79 -77.00   0.00  108
  9  ω   -113.00 -73.00   1.00    1.00    --  -41.14 -38.00  30.00   40
 10  ω     27.00  57.00   1.00    1.00    --   41.14-125.00-180.00   30
 11  ω    132.00 178.00   1.00    2.93    --  107.79  30.00-150.00   46
 12  ω     29.00  55.00   1.00    2.93    --  107.79 -94.00  90.00   26
 13  ω     82.00 110.00   1.00    2.93    --  107.79 -94.00  90.00   28
 14  ω     82.00 110.00   1.00    2.93    --  107.79-125.00   0.00   28
 15  ω     78.00 104.00   1.00    2.93    --  107.79-125.00-120.00   26
 16  ω     89.00 115.00   1.00    2.93    --  107.79  30.00-150.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0759533000
_diffrn_orient_matrix_UB_12      0.0373189000
_diffrn_orient_matrix_UB_13      0.0427706000
_diffrn_orient_matrix_UB_21      -0.0611751000
_diffrn_orient_matrix_UB_22      0.1228992000
_diffrn_orient_matrix_UB_23      -0.0024196000
_diffrn_orient_matrix_UB_31      -0.1107345000
_diffrn_orient_matrix_UB_32      -0.0423154000
_diffrn_orient_matrix_UB_33      0.0306735000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.776
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                6617
_reflns_number_total             6846
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.505(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         6846
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0315
_refine_ls_restrained_S_all      1.037
_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)+(0.0487P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0836
_refine_special_details          'Refined as a 2-component inversion twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.495(10)
 0.505(10)
2. 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
3.a Ternary CH refined with riding coordinates:
 C36(H36)
3.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
3.c Aromatic/amide H refined with riding coordinates:
 C28(H28), C9(H9), C19(H19), C20(H20), C18(H18), C24(H24), C2(H2), C11(H11),
 C3(H3), C12(H12), C13(H13), C31(H31), C27(H27), C5(H5), C14(H14), C25(H25),
 C32(H32), C21(H21), C22(H22), C7(H7), C34(H34), C6(H6), C35(H35), C26(H26),
 C8(H8)
3.d Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C29(H29A,H29B,H29C), C37(H37A,H37B,H37C)
;
_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
Ru01 Ru 0.53422(3) 0.39056(3) 0.37490(2) 0.01373(9) Uani 1 1 d . . . . .
Cl1 Cl 0.53454(12) 0.29522(8) 0.30168(3) 0.0189(2) Uani 1 1 d . . . . .
P1 P 0.73599(11) 0.45754(9) 0.35072(3) 0.0150(2) Uani 1 1 d . . . . .
P2 P 0.81629(13) 0.55579(12) 0.53492(4) 0.0259(3) Uani 1 1 d . . . . .
F6 F 0.7759(5) 0.4210(3) 0.52948(15) 0.0588(12) Uani 1 1 d . . . . .
F1 F 0.7841(4) 0.5769(4) 0.48219(12) 0.0549(11) Uani 1 1 d . . . . .
F4 F 0.8486(4) 0.5303(4) 0.58768(12) 0.0534(11) Uani 1 1 d . . . . .
N1 N 0.3802(4) 0.5726(3) 0.31548(12) 0.0177(8) Uani 1 1 d . . . . .
N2 N 0.5028(4) 0.6549(3) 0.36476(12) 0.0174(8) Uani 1 1 d . . . . .
C17 C 0.7601(5) 0.4726(4) 0.28847(15) 0.0180(9) Uani 1 1 d . . . . .
F3 F 0.6725(4) 0.5853(5) 0.54749(19) 0.0748(15) Uani 1 1 d . . . . .
F5 F 0.9581(4) 0.5202(5) 0.52184(14) 0.0666(13) Uani 1 1 d . . . . .
C1 C 0.4665(5) 0.5477(4) 0.34922(13) 0.0159(8) Uani 1 1 d . . . . .
C28 C 0.9247(5) 0.3683(5) 0.40981(18) 0.0259(11) Uani 1 1 d . . . . .
H28 H 0.9165 0.4384 0.4258 0.031 Uiso 1 1 calc R . . . .
C9 C 0.2371(5) 0.4041(5) 0.30434(16) 0.0232(9) Uani 1 1 d . . . . .
H9 H 0.2212 0.4016 0.3356 0.028 Uiso 1 1 calc R . . . .
C19 C 0.6843(5) 0.5437(5) 0.21575(18) 0.0295(11) Uani 1 1 d . . . . .
H19 H 0.6230 0.5844 0.1990 0.035 Uiso 1 1 calc R . . . .
C20 C 0.7868(5) 0.4941(5) 0.19368(16) 0.0269(11) Uani 1 1 d . . . . .
H20 H 0.7939 0.4989 0.1620 0.032 Uiso 1 1 calc R . . . .
F2 F 0.8571(6) 0.6868(4) 0.54070(19) 0.0717(16) Uani 1 1 d . . . . .
C18 C 0.6712(5) 0.5336(5) 0.26291(17) 0.0259(10) Uani 1 1 d . . . . .
H18 H 0.6016 0.5683 0.2774 0.031 Uiso 1 1 calc R . . . .
C15 C 0.8033(4) 0.5990(4) 0.36900(15) 0.0190(8) Uani 1 1 d . . . . .
C30 C 0.5529(5) 0.2110(4) 0.40993(16) 0.0214(10) Uani 1 1 d . . . . .
C16 C 0.7318(5) 0.6894(4) 0.38936(15) 0.0201(9) Uani 1 1 d . . . . .
C36 C 0.3460(5) 0.5187(5) 0.46092(17) 0.0247(10) Uani 1 1 d . . . . .
H36 H 0.4054 0.5835 0.4670 0.030 Uiso 1 1 calc R . . . .
C33 C 0.4209(4) 0.4183(4) 0.43996(15) 0.0180(9) Uani 1 1 d . . . . .
C38 C 0.2367(6) 0.5650(5) 0.43161(18) 0.0309(11) Uani 1 1 d . . . . .
H38A H 0.2702 0.5939 0.4032 0.046 Uiso 1 1 calc GR . . . .
H38B H 0.1940 0.6274 0.4475 0.046 Uiso 1 1 calc GR . . . .
H38C H 0.1770 0.5027 0.4257 0.046 Uiso 1 1 calc GR . . . .
C24 C 0.8680(5) 0.2444(5) 0.34614(18) 0.0253(10) Uani 1 1 d . . . . .
H24 H 0.8209 0.2311 0.3197 0.030 Uiso 1 1 calc R . . . .
C4 C 0.3148(5) 0.4905(4) 0.28598(16) 0.0203(9) Uani 1 1 d . . . . .
C23 C 0.8559(4) 0.3511(4) 0.36952(17) 0.0203(9) Uani 1 1 d . . . . .
C2 C 0.3658(5) 0.6927(4) 0.31024(17) 0.0239(10) Uani 1 1 d . . . . .
H2 H 0.3130 0.7306 0.2893 0.029 Uiso 1 1 calc R . . . .
C11 C 0.7909(5) 0.7938(5) 0.40063(16) 0.0258(10) Uani 1 1 d . . . . .
H11 H 0.7426 0.8542 0.4133 0.031 Uiso 1 1 calc R . . . .
C3 C 0.4426(5) 0.7437(4) 0.34116(16) 0.0237(10) Uani 1 1 d . . . . .
H3 H 0.4532 0.8238 0.3458 0.028 Uiso 1 1 calc R . . . .
C12 C 0.9221(6) 0.8108(5) 0.39337(19) 0.0330(12) Uani 1 1 d . . . . .
H12 H 0.9614 0.8805 0.4021 0.040 Uiso 1 1 calc R . . . .
C13 C 0.9918(5) 0.7225(5) 0.3731(2) 0.0306(11) Uani 1 1 d . . . . .
H13 H 1.0787 0.7331 0.3675 0.037 Uiso 1 1 calc R . . . .
C31 C 0.4214(5) 0.2327(4) 0.39771(16) 0.0212(10) Uani 1 1 d . . . . .
H31 H 0.3790 0.1795 0.3789 0.025 Uiso 1 1 calc R . . . .
C10 C 0.5925(5) 0.6762(4) 0.40262(16) 0.0227(10) Uani 1 1 d . . . . .
H10A H 0.5854 0.6117 0.4241 0.027 Uiso 1 1 calc R . . . .
H10B H 0.5659 0.7470 0.4184 0.027 Uiso 1 1 calc R . . . .
C27 C 1.0053(5) 0.2813(5) 0.4262(2) 0.0346(13) Uani 1 1 d . . . . .
H27 H 1.0495 0.2929 0.4534 0.042 Uiso 1 1 calc R . . . .
C5 C 0.3327(5) 0.5009(5) 0.23922(17) 0.0256(10) Uani 1 1 d . . . . .
H5 H 0.3826 0.5611 0.2272 0.031 Uiso 1 1 calc R . . . .
C29 C 0.6171(5) 0.1028(5) 0.39289(19) 0.0323(11) Uani 1 1 d . . . . .
H29A H 0.6019 0.0947 0.3607 0.048 Uiso 1 1 calc GR . . . .
H29B H 0.5834 0.0357 0.4086 0.048 Uiso 1 1 calc GR . . . .
H29C H 0.7076 0.1084 0.3984 0.048 Uiso 1 1 calc GR . . . .
C14 C 0.9331(5) 0.6174(5) 0.36088(16) 0.0250(10) Uani 1 1 d . . . . .
H14 H 0.9813 0.5586 0.3471 0.030 Uiso 1 1 calc R . . . .
C25 C 0.9502(6) 0.1586(5) 0.3625(2) 0.0350(13) Uani 1 1 d . . . . .
H25 H 0.9587 0.0880 0.3468 0.042 Uiso 1 1 calc R . . . .
C32 C 0.3563(5) 0.3315(4) 0.41342(15) 0.0193(9) Uani 1 1 d . . . . .
H32 H 0.2700 0.3410 0.4065 0.023 Uiso 1 1 calc R . . . .
C21 C 0.8800(5) 0.4367(5) 0.21916(17) 0.0307(11) Uani 1 1 d . . . . .
H21 H 0.9514 0.4051 0.2046 0.037 Uiso 1 1 calc R . . . .
C22 C 0.8668(5) 0.4264(5) 0.26671(17) 0.0279(11) Uani 1 1 d . . . . .
H22 H 0.9298 0.3885 0.2837 0.033 Uiso 1 1 calc R . . . .
C37 C 0.2931(6) 0.4749(6) 0.50672(18) 0.0379(14) Uani 1 1 d . . . . .
H37A H 0.2429 0.4055 0.5018 0.057 Uiso 1 1 calc GR . . . .
H37B H 0.2403 0.5347 0.5202 0.057 Uiso 1 1 calc GR . . . .
H37C H 0.3629 0.4572 0.5269 0.057 Uiso 1 1 calc GR . . . .
C7 C 0.2032(5) 0.3285(5) 0.22852(18) 0.0305(12) Uani 1 1 d . . . . .
H7 H 0.1686 0.2721 0.2091 0.037 Uiso 1 1 calc R . . . .
C34 C 0.5502(5) 0.3981(4) 0.45106(14) 0.0214(9) Uani 1 1 d . . . . .
H34 H 0.5942 0.4531 0.4685 0.026 Uiso 1 1 calc R . . . .
C6 C 0.2746(5) 0.4198(5) 0.21073(17) 0.0301(11) Uani 1 1 d . . . . .
H6 H 0.2838 0.4269 0.1792 0.036 Uiso 1 1 calc R . . . .
C35 C 0.6145(5) 0.2956(5) 0.43611(15) 0.0232(10) Uani 1 1 d . . . . .
H35 H 0.7000 0.2846 0.4440 0.028 Uiso 1 1 calc R . . . .
C26 C 1.0205(6) 0.1778(5) 0.4025(2) 0.0403(14) Uani 1 1 d . . . . .
H26 H 1.0772 0.1210 0.4131 0.048 Uiso 1 1 calc R . . . .
C8 C 0.1831(5) 0.3210(4) 0.27530(19) 0.0276(11) Uani 1 1 d . . . . .
H8 H 0.1335 0.2605 0.2873 0.033 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru01 Cl1 2.4004(9) . ?
Ru01 P1 2.3495(11) . ?
Ru01 C1 2.066(4) . ?
Ru01 C30 2.296(4) . ?
Ru01 C33 2.262(4) . ?
Ru01 C31 2.251(4) . ?
Ru01 C32 2.274(5) . ?
Ru01 C34 2.234(4) . ?
Ru01 C35 2.253(4) . ?
P1 C17 1.845(4) . ?
P1 C15 1.837(5) . ?
P1 C23 1.828(5) . ?
P2 F6 1.601(4) . ?
P2 F1 1.596(4) . ?
P2 F4 1.605(4) . ?
P2 F3 1.582(4) . ?
P2 F5 1.582(5) . ?
P2 F2 1.562(4) . ?
N1 C1 1.366(6) . ?
N1 C4 1.444(6) . ?
N1 C2 1.385(6) . ?
N2 C1 1.357(6) . ?
N2 C3 1.376(6) . ?
N2 C10 1.470(6) . ?
C17 C18 1.379(7) . ?
C17 C22 1.387(7) . ?
C28 H28 0.9300 . ?
C28 C23 1.393(7) . ?
C28 C27 1.385(8) . ?
C9 H9 0.9300 . ?
C9 C4 1.385(7) . ?
C9 C8 1.391(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.371(8) . ?
C19 C18 1.390(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.389(8) . ?
C18 H18 0.9300 . ?
C15 C16 1.405(7) . ?
C15 C14 1.392(7) . ?
C30 C31 1.440(7) . ?
C30 C29 1.489(7) . ?
C30 C35 1.389(7) . ?
C16 C11 1.380(7) . ?
C16 C10 1.514(7) . ?
C36 H36 0.9800 . ?
C36 C33 1.515(6) . ?
C36 C38 1.521(8) . ?
C36 C37 1.532(7) . ?
C33 C32 1.426(7) . ?
C33 C34 1.408(7) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C24 H24 0.9300 . ?
C24 C23 1.401(7) . ?
C24 C25 1.386(8) . ?
C4 C5 1.385(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.341(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.399(9) . ?
C3 H3 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.376(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.392(7) . ?
C31 H31 0.9300 . ?
C31 C32 1.393(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C27 H27 0.9300 . ?
C27 C26 1.376(10) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(7) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C14 H14 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.398(10) . ?
C32 H32 0.9300 . ?
C21 H21 0.9300 . ?
C21 C22 1.402(7) . ?
C22 H22 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C6 1.382(8) . ?
C7 C8 1.386(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.417(7) . ?
C6 H6 0.9300 . ?
C35 H35 0.9300 . ?
C26 H26 0.9300 . ?
C8 H8 0.9300 . ?

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 Ru01 Cl1 82.96(4) . . ?
C1 Ru01 Cl1 93.93(11) . . ?
C1 Ru01 P1 85.19(14) . . ?
C1 Ru01 C30 164.40(18) . . ?
C1 Ru01 C33 90.30(16) . . ?
C1 Ru01 C31 128.38(19) . . ?
C1 Ru01 C32 99.01(18) . . ?
C1 Ru01 C34 110.75(17) . . ?
C1 Ru01 C35 146.33(18) . . ?
C30 Ru01 Cl1 89.68(13) . . ?
C30 Ru01 P1 110.33(13) . . ?
C33 Ru01 Cl1 144.46(12) . . ?
C33 Ru01 P1 132.58(12) . . ?
C33 Ru01 C30 78.12(16) . . ?
C33 Ru01 C32 36.65(17) . . ?
C31 Ru01 Cl1 84.45(12) . . ?
C31 Ru01 P1 144.87(14) . . ?
C31 Ru01 C30 36.91(18) . . ?
C31 Ru01 C33 65.73(17) . . ?
C31 Ru01 C32 35.85(18) . . ?
C31 Ru01 C35 64.89(18) . . ?
C32 Ru01 Cl1 107.99(12) . . ?
C32 Ru01 P1 167.83(12) . . ?
C32 Ru01 C30 65.47(17) . . ?
C34 Ru01 Cl1 154.94(13) . . ?
C34 Ru01 P1 102.73(12) . . ?
C34 Ru01 C30 65.39(18) . . ?
C34 Ru01 C33 36.48(17) . . ?
C34 Ru01 C31 76.97(17) . . ?
C34 Ru01 C32 65.10(17) . . ?
C34 Ru01 C35 36.80(19) . . ?
C35 Ru01 Cl1 119.36(14) . . ?
C35 Ru01 P1 93.51(13) . . ?
C35 Ru01 C30 35.53(19) . . ?
C35 Ru01 C33 66.06(17) . . ?
C35 Ru01 C32 76.62(17) . . ?
C17 P1 Ru01 116.70(15) . . ?
C15 P1 Ru01 122.71(15) . . ?
C15 P1 C17 98.8(2) . . ?
C23 P1 Ru01 107.97(15) . . ?
C23 P1 C17 105.4(2) . . ?
C23 P1 C15 103.4(2) . . ?
F6 P2 F4 88.7(2) . . ?
F1 P2 F6 89.6(2) . . ?
F1 P2 F4 178.2(2) . . ?
F3 P2 F6 88.7(3) . . ?
F3 P2 F1 89.6(3) . . ?
F3 P2 F4 90.9(3) . . ?
F3 P2 F5 177.3(3) . . ?
F5 P2 F6 88.7(3) . . ?
F5 P2 F1 90.1(2) . . ?
F5 P2 F4 89.4(2) . . ?
F2 P2 F6 179.2(3) . . ?
F2 P2 F1 91.0(3) . . ?
F2 P2 F4 90.7(3) . . ?
F2 P2 F3 91.8(3) . . ?
F2 P2 F5 90.9(3) . . ?
C1 N1 C4 127.5(4) . . ?
C1 N1 C2 110.9(4) . . ?
C2 N1 C4 121.5(4) . . ?
C1 N2 C3 111.5(4) . . ?
C1 N2 C10 125.4(4) . . ?
C3 N2 C10 123.1(4) . . ?
C18 C17 P1 119.3(4) . . ?
C18 C17 C22 118.9(4) . . ?
C22 C17 P1 121.8(4) . . ?
N1 C1 Ru01 131.9(3) . . ?
N2 C1 Ru01 124.2(3) . . ?
N2 C1 N1 103.8(4) . . ?
C23 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C23 120.3(5) . . ?
C4 C9 H9 120.5 . . ?
C4 C9 C8 119.0(4) . . ?
C8 C9 H9 120.5 . . ?
C20 C19 H19 119.7 . . ?
C20 C19 C18 120.6(5) . . ?
C18 C19 H19 119.7 . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.2(5) . . ?
C21 C20 H20 120.4 . . ?
C17 C18 C19 120.8(5) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C16 C15 P1 124.3(4) . . ?
C14 C15 P1 117.1(4) . . ?
C14 C15 C16 118.6(5) . . ?
C31 C30 Ru01 69.8(2) . . ?
C31 C30 C29 119.3(5) . . ?
C29 C30 Ru01 128.8(3) . . ?
C35 C30 Ru01 70.5(3) . . ?
C35 C30 C31 117.3(4) . . ?
C35 C30 C29 123.4(5) . . ?
C15 C16 C10 123.1(4) . . ?
C11 C16 C15 119.7(5) . . ?
C11 C16 C10 117.0(5) . . ?
C33 C36 H36 108.4 . . ?
C33 C36 C38 114.9(4) . . ?
C33 C36 C37 107.1(4) . . ?
C38 C36 H36 108.4 . . ?
C38 C36 C37 109.6(4) . . ?
C37 C36 H36 108.4 . . ?
C36 C33 Ru01 135.7(3) . . ?
C32 C33 Ru01 72.1(3) . . ?
C32 C33 C36 120.0(4) . . ?
C34 C33 Ru01 70.7(2) . . ?
C34 C33 C36 121.7(4) . . ?
C34 C33 C32 117.7(4) . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0(5) . . ?
C9 C4 N1 120.4(4) . . ?
C9 C4 C5 121.5(5) . . ?
C5 C4 N1 118.1(5) . . ?
C28 C23 P1 121.0(4) . . ?
C28 C23 C24 119.2(4) . . ?
C24 C23 P1 119.4(4) . . ?
N1 C2 H2 126.6 . . ?
C3 C2 N1 106.8(4) . . ?
C3 C2 H2 126.6 . . ?
C16 C11 H11 119.3 . . ?
C16 C11 C12 121.4(5) . . ?
C12 C11 H11 119.3 . . ?
N2 C3 H3 126.5 . . ?
C2 C3 N2 107.0(4) . . ?
C2 C3 H3 126.5 . . ?
C11 C12 H12 120.6 . . ?
C13 C12 C11 118.8(5) . . ?
C13 C12 H12 120.6 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.4(5) . . ?
C14 C13 H13 119.8 . . ?
Ru01 C31 H31 126.5 . . ?
C30 C31 Ru01 73.3(3) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 Ru01 73.0(3) . . ?
C32 C31 C30 121.5(5) . . ?
C32 C31 H31 119.3 . . ?
N2 C10 C16 115.8(4) . . ?
N2 C10 H10A 108.3 . . ?
N2 C10 H10B 108.3 . . ?
C16 C10 H10A 108.3 . . ?
C16 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
C28 C27 H27 119.7 . . ?
C26 C27 C28 120.7(6) . . ?
C26 C27 H27 119.7 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 H5 120.7 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C15 C14 C13 121.0(5) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(5) . . ?
C26 C25 H25 119.9 . . ?
Ru01 C32 H32 130.6 . . ?
C33 C32 Ru01 71.2(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 Ru01 71.2(3) . . ?
C31 C32 C33 120.6(4) . . ?
C31 C32 H32 119.7 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 120.1(5) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0(5) . . ?
C8 C7 H7 120.0 . . ?
Ru01 C34 H34 127.6 . . ?
C33 C34 Ru01 72.8(2) . . ?
C33 C34 H34 119.4 . . ?
C33 C34 C35 121.2(4) . . ?
C35 C34 Ru01 72.3(3) . . ?
C35 C34 H34 119.4 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(5) . . ?
C7 C6 H6 119.6 . . ?
Ru01 C35 H35 128.2 . . ?
C30 C35 Ru01 73.9(3) . . ?
C30 C35 C34 121.5(4) . . ?
C30 C35 H35 119.2 . . ?
C34 C35 Ru01 70.9(3) . . ?
C34 C35 H35 119.2 . . ?
C27 C26 C25 119.6(5) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 C9 119.9(5) . . ?
C7 C8 H8 120.0 . . ?

_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 1.156
_oxdiff_exptl_absorpt_empirical_full_min 0.891
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.495(10)
2 0.505(10)

####################################################################### 
# 
# 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_19041902_sq
_database_code_depnum_ccdc_archive 'CCDC 1911586'
loop_
_audit_author_name
_audit_author_address
Ru
;Sun Yatsen University
China
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2021-03-19 downloaded from the CCDC.
;
_audit_creation_date             2019-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.13(C33 H35 Cl N2 P Ru), 0.06(F6 P)'
_chemical_formula_sum            'C H Cl F N P Ru'
_chemical_formula_weight         213.52
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H Cl N P Ru F'
_chemical_oxdiff_usercomment     2019.4.19-RU-1
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'
F F 0.0727 0.0534 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   12.9079(2)
_cell_length_b                   14.7545(2)
_cell_length_c                   35.0697(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.0420(10)
_cell_angle_gamma                90
_cell_volume                     6653.17(16)
_cell_formula_units_Z            62
_cell_measurement_reflns_used    9164
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      74.0840
_cell_measurement_theta_min      4.5430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    37.631
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    3.304
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6138
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13757
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.359
_diffrn_reflns_theta_min         4.561
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -128.00 -39.00   1.00    1.00    --  -41.14   0.00 120.00   89
  2  ω    -98.00 -72.00   1.00    1.00    --  -41.14 -38.00  30.00   26
  3  ω    -66.00 -18.00   1.00    1.00    --  -41.14 -38.00  30.00   48
  4  ω     30.00  86.00   1.00    1.00    --   41.14-125.00-150.00   56
  5  ω      1.00  45.00   1.00    1.00    --   41.14 -57.00-150.00   44
  6  ω     39.00 124.00   1.00    2.00    --  107.79 -30.00-150.00   85
  7  ω     36.00 101.00   1.00    2.00    --  107.79 -30.00 -60.00   65
  8  ω     79.00 150.00   1.00    2.00    --  107.79  61.00  60.00   71
  9  ω     40.00 100.00   1.00    2.00    --  107.79-125.00 120.00   60
 10  ω     48.00 118.00   1.00    2.00    --  107.79-125.00-150.00   70
 11  ω    128.00 177.00   1.00    2.00    --  107.79 125.00   0.00   49
 12  ω     38.00  85.00   1.00    2.00    --  107.79 -94.00 -30.00   47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0030580000
_diffrn_orient_matrix_UB_12      0.1036955000
_diffrn_orient_matrix_UB_13      -0.0054764000
_diffrn_orient_matrix_UB_21      -0.1118228000
_diffrn_orient_matrix_UB_22      -0.0069884000
_diffrn_orient_matrix_UB_23      -0.0190840000
_diffrn_orient_matrix_UB_31      -0.0428801000
_diffrn_orient_matrix_UB_32      0.0109014000
_diffrn_orient_matrix_UB_33      0.0393407000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus 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                6173
_reflns_number_total             6569
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.999
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         6569
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0416
_refine_ls_restrained_S_all      1.065
_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)+(0.0661P)²+6.2924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1124
_refine_special_details          SQUEEZE
_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:
 C31(H31)
2.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B)
2.c Aromatic/amide H refined with riding coordinates:
 C22(H22), C28(H28), C18(H18), C3(H3), C12(H12), C2(H2), C26(H26), C9(H9),
 C6(H6), C16(H16), C25(H25), C29(H29), C8(H8), C20(H20), C7(H7), C19(H19),
 C21(H21), C13(H13), C14(H14), C15(H15)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), 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
Ru01 Ru 0.65119(2) 0.54998(2) 0.61195(2) 0.01739(9) Uani 1 1 d . . . . .
Cl1 Cl 0.51681(6) 0.44472(5) 0.59099(2) 0.02761(16) Uani 1 1 d . . . . .
P1 P 0.51400(5) 0.62469(5) 0.63888(2) 0.01776(15) Uani 1 1 d . . . . .
P2 P 0.0000 0.5000 0.5000 0.0240(2) Uani 1 2 d S T P . .
F6 F 0.0001(2) 0.47633(17) 0.54418(6) 0.0544(6) Uani 1 1 d . . . . .
F4 F 0.0681(2) 0.58717(18) 0.50999(8) 0.0628(7) Uani 1 1 d . . . . .
F5 F 0.1014(2) 0.43960(18) 0.49747(9) 0.0605(7) Uani 1 1 d . . . . .
N1 N 0.6367(2) 0.56642(19) 0.52418(7) 0.0275(5) Uani 1 1 d . . . . .
N2 N 0.5914(2) 0.69260(18) 0.54775(7) 0.0249(5) Uani 1 1 d . . . . .
C1 C 0.6201(2) 0.6069(2) 0.55795(8) 0.0225(6) Uani 1 1 d . . . . .
C17 C 0.5429(2) 0.7263(2) 0.66867(8) 0.0217(5) Uani 1 1 d . . . . .
C11 C 0.4468(2) 0.5585(2) 0.67351(8) 0.0238(6) Uani 1 1 d . . . . .
C10 C 0.4106(2) 0.6616(2) 0.60377(8) 0.0217(5) Uani 1 1 d . . . . .
C22 C 0.5069(3) 0.8130(2) 0.65929(9) 0.0289(6) Uani 1 1 d . . . . .
H22 H 0.4667 0.8225 0.6363 0.035 Uiso 1 1 calc R . . . .
C28 C 0.8135(2) 0.5324(2) 0.59641(9) 0.0279(6) Uani 1 1 d . . . . .
H28 H 0.8396 0.5356 0.5725 0.033 Uiso 1 1 calc R . . . .
C18 C 0.6013(2) 0.7130(2) 0.70379(8) 0.0263(6) Uani 1 1 d . . . . .
H18 H 0.6243 0.6551 0.7108 0.032 Uiso 1 1 calc R . . . .
C3 C 0.5904(3) 0.7055(3) 0.50854(9) 0.0341(7) Uani 1 1 d . . . . .
H3 H 0.5727 0.7583 0.4951 0.041 Uiso 1 1 calc R . . . .
C12 C 0.3690(3) 0.6004(3) 0.69238(9) 0.0332(7) Uani 1 1 d . . . . .
H12 H 0.3529 0.6611 0.6876 0.040 Uiso 1 1 calc R . . . .
C27 C 0.8094(2) 0.6129(2) 0.61865(9) 0.0267(6) Uani 1 1 d . . . . .
C2 C 0.6197(3) 0.6271(3) 0.49407(9) 0.0357(8) Uani 1 1 d . . . . .
H2 H 0.6274 0.6152 0.4684 0.043 Uiso 1 1 calc R . . . .
C26 C 0.7705(2) 0.6039(2) 0.65494(8) 0.0263(6) Uani 1 1 d . . . . .
H26 H 0.7641 0.6553 0.6699 0.032 Uiso 1 1 calc R . . . .
C9 C 0.3110(2) 0.6251(2) 0.60273(8) 0.0272(6) Uani 1 1 d . . . . .
H9 H 0.2967 0.5800 0.6200 0.033 Uiso 1 1 calc R . . . .
C6 C 0.3525(3) 0.7579(2) 0.55058(9) 0.0308(7) Uani 1 1 d . . . . .
H6 H 0.3660 0.8031 0.5332 0.037 Uiso 1 1 calc R . . . .
C4 C 0.5433(2) 0.7569(2) 0.57258(8) 0.0261(6) Uani 1 1 d . . . . .
H4A H 0.5438 0.8172 0.5616 0.031 Uiso 1 1 calc R . . . .
H4B H 0.5819 0.7584 0.5976 0.031 Uiso 1 1 calc R . . . .
C16 C 0.4717(3) 0.4689(2) 0.68157(9) 0.0287(6) Uani 1 1 d . . . . .
H16 H 0.5232 0.4406 0.6689 0.034 Uiso 1 1 calc R . . . .
C5 C 0.4326(2) 0.7267(2) 0.57630(8) 0.0243(6) Uani 1 1 d . . . . .
C25 C 0.7408(2) 0.5181(2) 0.66921(9) 0.0294(6) Uani 1 1 d . . . . .
H25 H 0.7196 0.5139 0.6938 0.035 Uiso 1 1 calc R . . . .
C29 C 0.7794(3) 0.4483(2) 0.60947(10) 0.0320(7) Uani 1 1 d . . . . .
H29 H 0.7804 0.3976 0.5937 0.038 Uiso 1 1 calc R . . . .
C24 C 0.7434(3) 0.4400(2) 0.64657(10) 0.0300(7) Uani 1 1 d . . . . .
C23 C 0.6654(3) 0.4720(2) 0.51754(10) 0.0331(7) Uani 1 1 d . . . . .
H23A H 0.7381 0.4687 0.5139 0.050 Uiso 1 1 calc GR . . . .
H23B H 0.6255 0.4496 0.4951 0.050 Uiso 1 1 calc GR . . . .
H23C H 0.6514 0.4359 0.5393 0.050 Uiso 1 1 calc GR . . . .
C8 C 0.2325(2) 0.6556(3) 0.57600(9) 0.0338(7) Uani 1 1 d . . . . .
H8 H 0.1663 0.6304 0.5754 0.041 Uiso 1 1 calc R . . . .
C20 C 0.5899(3) 0.8716(2) 0.71819(10) 0.0374(8) Uani 1 1 d . . . . .
H20 H 0.6062 0.9200 0.7346 0.045 Uiso 1 1 calc R . . . .
C7 C 0.2527(3) 0.7229(3) 0.55040(9) 0.0355(8) Uani 1 1 d . . . . .
H7 H 0.1997 0.7447 0.5331 0.043 Uiso 1 1 calc R . . . .
C19 C 0.6249(3) 0.7852(3) 0.72798(9) 0.0346(7) Uani 1 1 d . . . . .
H19 H 0.6646 0.7758 0.7511 0.042 Uiso 1 1 calc R . . . .
C21 C 0.5304(3) 0.8857(2) 0.68378(10) 0.0362(7) Uani 1 1 d . . . . .
H21 H 0.5063 0.9435 0.6771 0.043 Uiso 1 1 calc R . . . .
C13 C 0.3154(3) 0.5519(3) 0.71831(10) 0.0424(10) Uani 1 1 d . . . . .
H13 H 0.2618 0.5792 0.7302 0.051 Uiso 1 1 calc R . . . .
C14 C 0.3417(3) 0.4635(3) 0.72630(10) 0.0460(10) Uani 1 1 d . . . . .
H14 H 0.3065 0.4316 0.7440 0.055 Uiso 1 1 calc R . . . .
C15 C 0.4202(3) 0.4208(3) 0.70844(9) 0.0423(9) Uani 1 1 d . . . . .
H15 H 0.4381 0.3610 0.7143 0.051 Uiso 1 1 calc R . . . .
C31 C 0.8488(3) 0.7012(2) 0.60367(10) 0.0350(7) Uani 1 1 d . . . . .
H31 H 0.8191 0.7081 0.5771 0.042 Uiso 1 1 calc R . . . .
C30 C 0.7091(3) 0.3489(2) 0.66000(12) 0.0459(9) Uani 1 1 d . . . . .
H30A H 0.6819 0.3553 0.6845 0.069 Uiso 1 1 calc GR . . . .
H30B H 0.7675 0.3083 0.6623 0.069 Uiso 1 1 calc GR . . . .
H30C H 0.6562 0.3249 0.6418 0.069 Uiso 1 1 calc GR . . . .
C32 C 0.9670(3) 0.6933(3) 0.60308(16) 0.0578(12) Uani 1 1 d . . . . .
H32A H 0.9984 0.6869 0.6288 0.087 Uiso 1 1 calc GR . . . .
H32B H 0.9934 0.7469 0.5918 0.087 Uiso 1 1 calc GR . . . .
H32C H 0.9832 0.6413 0.5883 0.087 Uiso 1 1 calc GR . . . .
C33 C 0.8187(3) 0.7842(2) 0.62561(12) 0.0422(9) Uani 1 1 d . . . . .
H33A H 0.7444 0.7870 0.6255 0.063 Uiso 1 1 calc GR . . . .
H33B H 0.8435 0.8376 0.6137 0.063 Uiso 1 1 calc GR . . . .
H33C H 0.8492 0.7805 0.6515 0.063 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru01 Cl1 2.3952(7) . ?
Ru01 P1 2.3529(7) . ?
Ru01 C1 2.078(3) . ?
Ru01 C28 2.226(3) . ?
Ru01 C27 2.237(3) . ?
Ru01 C26 2.206(3) . ?
Ru01 C25 2.277(3) . ?
Ru01 C29 2.241(3) . ?
Ru01 C24 2.296(3) . ?
P1 C17 1.846(3) . ?
P1 C11 1.834(3) . ?
P1 C10 1.819(3) . ?
P2 F6 1.588(2) 5_566 ?
P2 F6 1.588(2) . ?
P2 F4 1.580(2) . ?
P2 F4 1.580(2) 5_566 ?
P2 F5 1.592(2) . ?
P2 F5 1.592(2) 5_566 ?
N1 C1 1.360(4) . ?
N1 C2 1.387(4) . ?
N1 C23 1.465(4) . ?
N2 C1 1.357(4) . ?
N2 C3 1.387(4) . ?
N2 C4 1.462(4) . ?
C17 C22 1.391(4) . ?
C17 C18 1.400(4) . ?
C11 C12 1.396(5) . ?
C11 C16 1.384(4) . ?
C10 C9 1.391(4) . ?
C10 C5 1.406(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.390(4) . ?
C28 H28 0.9300 . ?
C28 C27 1.424(4) . ?
C28 C29 1.407(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.331(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.389(5) . ?
C27 C26 1.415(4) . ?
C27 C31 1.510(5) . ?
C2 H2 0.9300 . ?
C26 H26 0.9300 . ?
C26 C25 1.425(5) . ?
C9 H9 0.9300 . ?
C9 C8 1.393(4) . ?
C6 H6 0.9300 . ?
C6 C5 1.390(4) . ?
C6 C7 1.387(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.513(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.394(5) . ?
C25 H25 0.9300 . ?
C25 C24 1.402(5) . ?
C29 H29 0.9300 . ?
C29 C24 1.425(5) . ?
C24 C30 1.503(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C8 H8 0.9300 . ?
C8 C7 1.379(5) . ?
C20 H20 0.9300 . ?
C20 C19 1.385(5) . ?
C20 C21 1.388(5) . ?
C7 H7 0.9300 . ?
C19 H19 0.9300 . ?
C21 H21 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.370(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(6) . ?
C15 H15 0.9300 . ?
C31 H31 0.9800 . ?
C31 C32 1.532(5) . ?
C31 C33 1.514(5) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ru01 Cl1 82.92(3) . . ?
C1 Ru01 Cl1 84.59(8) . . ?
C1 Ru01 P1 94.85(8) . . ?
C1 Ru01 C28 86.24(12) . . ?
C1 Ru01 C27 91.69(11) . . ?
C1 Ru01 C26 122.99(12) . . ?
C1 Ru01 C25 158.38(12) . . ?
C1 Ru01 C29 108.62(13) . . ?
C1 Ru01 C24 144.80(12) . . ?
C28 Ru01 Cl1 121.42(9) . . ?
C28 Ru01 P1 155.58(9) . . ?
C28 Ru01 C27 37.22(11) . . ?
C28 Ru01 C25 77.03(12) . . ?
C28 Ru01 C29 36.72(13) . . ?
C28 Ru01 C24 65.92(13) . . ?
C27 Ru01 Cl1 158.63(8) . . ?
C27 Ru01 P1 118.41(8) . . ?
C27 Ru01 C25 66.71(12) . . ?
C27 Ru01 C29 67.13(12) . . ?
C27 Ru01 C24 79.16(12) . . ?
C26 Ru01 Cl1 152.43(9) . . ?
C26 Ru01 P1 93.53(8) . . ?
C26 Ru01 C28 66.03(11) . . ?
C26 Ru01 C27 37.14(12) . . ?
C26 Ru01 C25 37.03(12) . . ?
C26 Ru01 C29 78.13(12) . . ?
C26 Ru01 C24 66.12(12) . . ?
C25 Ru01 Cl1 115.78(9) . . ?
C25 Ru01 P1 94.87(8) . . ?
C25 Ru01 C24 35.71(12) . . ?
C29 Ru01 Cl1 94.10(9) . . ?
C29 Ru01 P1 156.00(10) . . ?
C29 Ru01 C25 64.92(12) . . ?
C29 Ru01 C24 36.58(13) . . ?
C24 Ru01 Cl1 91.81(9) . . ?
C24 Ru01 P1 119.50(9) . . ?
C17 P1 Ru01 119.05(9) . . ?
C11 P1 Ru01 115.64(10) . . ?
C11 P1 C17 98.11(13) . . ?
C10 P1 Ru01 113.73(9) . . ?
C10 P1 C17 103.87(13) . . ?
C10 P1 C11 104.25(14) . . ?
F6 P2 F6 180.0 . 5_566 ?
F6 P2 F5 89.94(14) 5_566 . ?
F6 P2 F5 90.06(14) . . ?
F6 P2 F5 89.94(14) . 5_566 ?
F6 P2 F5 90.06(14) 5_566 5_566 ?
F4 P2 F6 90.57(14) 5_566 5_566 ?
F4 P2 F6 89.44(14) . 5_566 ?
F4 P2 F6 90.57(14) . . ?
F4 P2 F6 89.43(14) 5_566 . ?
F4 P2 F4 180.0 . 5_566 ?
F4 P2 F5 88.60(16) . 5_566 ?
F4 P2 F5 88.60(16) 5_566 . ?
F4 P2 F5 91.40(16) . . ?
F4 P2 F5 91.40(16) 5_566 5_566 ?
F5 P2 F5 180.0 5_566 . ?
C1 N1 C2 110.7(3) . . ?
C1 N1 C23 128.1(3) . . ?
C2 N1 C23 121.2(3) . . ?
C1 N2 C3 111.5(3) . . ?
C1 N2 C4 124.6(2) . . ?
C3 N2 C4 122.3(3) . . ?
N1 C1 Ru01 125.7(2) . . ?
N2 C1 Ru01 130.0(2) . . ?
N2 C1 N1 103.9(2) . . ?
C22 C17 P1 124.5(2) . . ?
C22 C17 C18 118.6(3) . . ?
C18 C17 P1 116.8(2) . . ?
C12 C11 P1 118.7(2) . . ?
C16 C11 P1 122.0(2) . . ?
C16 C11 C12 119.3(3) . . ?
C9 C10 P1 121.6(2) . . ?
C9 C10 C5 119.2(3) . . ?
C5 C10 P1 119.2(2) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 120.9(3) . . ?
C21 C22 H22 119.5 . . ?
Ru01 C28 H28 129.6 . . ?
C27 C28 Ru01 71.79(17) . . ?
C27 C28 H28 119.0 . . ?
C29 C28 Ru01 72.22(18) . . ?
C29 C28 H28 119.0 . . ?
C29 C28 C27 122.0(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
N2 C3 H3 126.8 . . ?
C2 C3 N2 106.3(3) . . ?
C2 C3 H3 126.8 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C28 C27 Ru01 71.00(17) . . ?
C28 C27 C31 119.9(3) . . ?
C26 C27 Ru01 70.27(17) . . ?
C26 C27 C28 116.6(3) . . ?
C26 C27 C31 123.5(3) . . ?
C31 C27 Ru01 130.9(2) . . ?
N1 C2 H2 126.2 . . ?
C3 C2 N1 107.5(3) . . ?
C3 C2 H2 126.2 . . ?
Ru01 C26 H26 126.0 . . ?
C27 C26 Ru01 72.59(17) . . ?
C27 C26 H26 119.1 . . ?
C27 C26 C25 121.8(3) . . ?
C25 C26 Ru01 74.17(17) . . ?
C25 C26 H26 119.1 . . ?
C10 C9 H9 119.7 . . ?
C10 C9 C8 120.6(3) . . ?
C8 C9 H9 119.7 . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C7 C6 C5 121.1(3) . . ?
N2 C4 H4A 110.0 . . ?
N2 C4 H4B 110.0 . . ?
N2 C4 C5 108.3(2) . . ?
H4A C4 H4B 108.4 . . ?
C5 C4 H4A 110.0 . . ?
C5 C4 H4B 110.0 . . ?
C11 C16 H16 119.7 . . ?
C11 C16 C15 120.6(3) . . ?
C15 C16 H16 119.7 . . ?
C10 C5 C4 120.6(3) . . ?
C6 C5 C10 119.1(3) . . ?
C6 C5 C4 120.1(3) . . ?
Ru01 C25 H25 131.6 . . ?
C26 C25 Ru01 68.80(16) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 Ru01 72.88(18) . . ?
C24 C25 C26 120.7(3) . . ?
C24 C25 H25 119.6 . . ?
Ru01 C29 H29 127.6 . . ?
C28 C29 Ru01 71.06(18) . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C24 120.7(3) . . ?
C24 C29 Ru01 73.78(18) . . ?
C24 C29 H29 119.7 . . ?
C25 C24 Ru01 71.42(18) . . ?
C25 C24 C29 118.2(3) . . ?
C25 C24 C30 122.4(3) . . ?
C29 C24 Ru01 69.63(18) . . ?
C29 C24 C30 119.4(3) . . ?
C30 C24 Ru01 130.2(2) . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C9 C8 H8 119.9 . . ?
C7 C8 C9 120.1(3) . . ?
C7 C8 H8 119.9 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(3) . . ?
C21 C20 H20 120.1 . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.6(3) . . ?
C8 C7 H7 120.2 . . ?
C18 C19 C20 120.6(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C22 C21 H21 120.2 . . ?
C20 C21 C22 119.7(3) . . ?
C20 C21 H21 120.2 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.7(4) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(3) . . ?
C15 C14 H14 119.4 . . ?
C16 C15 H15 120.6 . . ?
C14 C15 C16 118.9(4) . . ?
C14 C15 H15 120.6 . . ?
C27 C31 H31 107.6 . . ?
C27 C31 C32 107.8(3) . . ?
C27 C31 C33 114.3(3) . . ?
C32 C31 H31 107.6 . . ?
C33 C31 H31 107.6 . . ?
C33 C31 C32 111.6(3) . . ?
C24 C30 H30A 109.5 . . ?
C24 C30 H30B 109.5 . . ?
C24 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 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
Ru01 P1 C17 C22 115.4(2) . . . . ?
Ru01 P1 C17 C18 -67.6(2) . . . . ?
Ru01 P1 C11 C12 176.1(2) . . . . ?
Ru01 P1 C11 C16 -3.5(3) . . . . ?
Ru01 P1 C10 C9 114.5(2) . . . . ?
Ru01 P1 C10 C5 -63.5(2) . . . . ?
Ru01 C28 C27 C26 55.1(2) . . . . ?
Ru01 C28 C27 C31 -126.9(3) . . . . ?
Ru01 C28 C29 C24 -56.9(3) . . . . ?
Ru01 C27 C26 C25 57.9(3) . . . . ?
Ru01 C27 C31 C32 -158.1(3) . . . . ?
Ru01 C27 C31 C33 77.2(4) . . . . ?
Ru01 C26 C25 C24 53.3(3) . . . . ?
Ru01 C25 C24 C29 53.4(3) . . . . ?
Ru01 C25 C24 C30 -126.3(3) . . . . ?
Ru01 C29 C24 C25 -54.2(3) . . . . ?
Ru01 C29 C24 C30 125.5(3) . . . . ?
P1 C17 C22 C21 178.5(3) . . . . ?
P1 C17 C18 C19 -179.0(3) . . . . ?
P1 C11 C12 C13 178.9(3) . . . . ?
P1 C11 C16 C15 179.1(3) . . . . ?
P1 C10 C9 C8 178.9(2) . . . . ?
P1 C10 C5 C6 -177.1(2) . . . . ?
P1 C10 C5 C4 7.8(4) . . . . ?
N2 C3 C2 N1 1.0(4) . . . . ?
N2 C4 C5 C10 84.9(3) . . . . ?
N2 C4 C5 C6 -90.1(3) . . . . ?
C1 N1 C2 C3 -1.2(4) . . . . ?
C1 N2 C3 C2 -0.5(4) . . . . ?
C1 N2 C4 C5 -72.4(4) . . . . ?
C17 P1 C11 C12 48.3(3) . . . . ?
C17 P1 C11 C16 -131.2(3) . . . . ?
C17 P1 C10 C9 -114.6(3) . . . . ?
C17 P1 C10 C5 67.4(2) . . . . ?
C17 C22 C21 C20 -0.4(5) . . . . ?
C17 C18 C19 C20 1.0(5) . . . . ?
C11 P1 C17 C22 -119.3(3) . . . . ?
C11 P1 C17 C18 57.8(2) . . . . ?
C11 P1 C10 C9 -12.3(3) . . . . ?
C11 P1 C10 C5 169.7(2) . . . . ?
C11 C12 C13 C14 2.3(5) . . . . ?
C11 C16 C15 C14 1.6(5) . . . . ?
C10 P1 C17 C22 -12.3(3) . . . . ?
C10 P1 C17 C18 164.7(2) . . . . ?
C10 P1 C11 C12 -58.3(3) . . . . ?
C10 P1 C11 C16 122.1(3) . . . . ?
C10 C9 C8 C7 -0.5(5) . . . . ?
C22 C17 C18 C19 -1.8(5) . . . . ?
C28 C27 C26 Ru01 -55.5(2) . . . . ?
C28 C27 C26 C25 2.4(4) . . . . ?
C28 C27 C31 C32 -68.0(4) . . . . ?
C28 C27 C31 C33 167.3(3) . . . . ?
C28 C29 C24 Ru01 55.6(3) . . . . ?
C28 C29 C24 C25 1.3(5) . . . . ?
C28 C29 C24 C30 -179.0(3) . . . . ?
C18 C17 C22 C21 1.5(5) . . . . ?
C3 N2 C1 Ru01 172.8(2) . . . . ?
C3 N2 C1 N1 -0.2(3) . . . . ?
C3 N2 C4 C5 92.3(3) . . . . ?
C12 C11 C16 C15 -0.5(5) . . . . ?
C12 C13 C14 C15 -1.1(6) . . . . ?
C27 C28 C29 Ru01 54.1(3) . . . . ?
C27 C28 C29 C24 -2.8(5) . . . . ?
C27 C26 C25 Ru01 -57.2(3) . . . . ?
C27 C26 C25 C24 -3.9(5) . . . . ?
C2 N1 C1 Ru01 -172.6(2) . . . . ?
C2 N1 C1 N2 0.8(3) . . . . ?
C26 C27 C31 C32 109.8(4) . . . . ?
C26 C27 C31 C33 -14.9(5) . . . . ?
C26 C25 C24 Ru01 -51.4(3) . . . . ?
C26 C25 C24 C29 1.9(5) . . . . ?
C26 C25 C24 C30 -177.8(3) . . . . ?
C9 C10 C5 C6 4.8(4) . . . . ?
C9 C10 C5 C4 -170.3(3) . . . . ?
C9 C8 C7 C6 2.2(5) . . . . ?
C4 N2 C1 Ru01 -21.1(4) . . . . ?
C4 N2 C1 N1 165.9(3) . . . . ?
C4 N2 C3 C2 -167.0(3) . . . . ?
C16 C11 C12 C13 -1.5(5) . . . . ?
C5 C10 C9 C8 -3.1(4) . . . . ?
C5 C6 C7 C8 -0.4(5) . . . . ?
C29 C28 C27 Ru01 -54.3(3) . . . . ?
C29 C28 C27 C26 0.9(5) . . . . ?
C29 C28 C27 C31 178.9(3) . . . . ?
C23 N1 C1 Ru01 9.3(5) . . . . ?
C23 N1 C1 N2 -177.3(3) . . . . ?
C23 N1 C2 C3 177.1(3) . . . . ?
C7 C6 C5 C10 -3.1(5) . . . . ?
C7 C6 C5 C4 172.0(3) . . . . ?
C19 C20 C21 C22 -0.4(5) . . . . ?
C21 C20 C19 C18 0.1(5) . . . . ?
C13 C14 C15 C16 -0.8(6) . . . . ?
C31 C27 C26 Ru01 126.6(3) . . . . ?
C31 C27 C26 C25 -175.5(3) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 8.159
_oxdiff_exptl_absorpt_empirical_full_min 0.629
