# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_ic19509
_database_code_depnum_ccdc_archive 'CCDC 2191749'
loop_
_audit_author_name
_audit_author_address
'Gene-Hsiang Lee'
;Naitional Taiwan Normal University
Taiwan
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H34 N4 P2 Ru'
_chemical_formula_weight         733.72

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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                   39.0862(13)
_cell_length_b                   9.1717(3)
_cell_length_c                   18.6636(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.3599(11)
_cell_angle_gamma                90
_cell_volume                     6679.2(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    19864
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      27.47

_exptl_crystal_description       plate
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.033
_exptl_absorpt_coefficient_mu    0.601
_shelx_estimated_absorpt_T_min   0.903
_shelx_estimated_absorpt_T_max   0.980
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6442
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23728
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.281
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7638
_reflns_number_gt                6499
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+11.8742P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7638
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0686
_refine_ls_wR_factor_gt          0.0630
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ru Ru 0.33807(2) 0.72100(2) 0.22185(2) 0.01581(5) Uani 1 1 d . . . . .
P1 P 0.34146(2) 0.47864(6) 0.24529(3) 0.01601(11) Uani 1 1 d . . . . .
P2 P 0.39375(2) 0.69437(6) 0.19340(3) 0.01733(12) Uani 1 1 d . . . . .
N1 N 0.35106(5) 0.9056(2) 0.35262(11) 0.0255(4) Uani 1 1 d . . . . .
N2 N 0.35751(4) 0.77328(19) 0.32508(10) 0.0187(4) Uani 1 1 d . . . . .
N3 N 0.38019(4) 0.69737(19) 0.36610(10) 0.0200(4) Uani 1 1 d . . . . .
N4 N 0.51897(6) 0.6039(2) 0.66882(13) 0.0412(6) Uani 1 1 d . . . . .
C1 C 0.37071(6) 0.9128(2) 0.41363(13) 0.0256(5) Uani 1 1 d . . . . .
H1 H 0.3719 0.9933 0.4457 0.031 Uiso 1 1 calc R U . . .
C2 C 0.38907(5) 0.7841(2) 0.42269(12) 0.0200(4) Uani 1 1 d . . . . .
C3 C 0.41487(5) 0.7415(2) 0.47871(12) 0.0202(4) Uani 1 1 d . . . . .
C4 C 0.42137(6) 0.8258(3) 0.54050(13) 0.0248(5) Uani 1 1 d . . . . .
H4 H 0.4076 0.9091 0.5481 0.030 Uiso 1 1 calc R U . . .
C5 C 0.44742(6) 0.7903(3) 0.59073(13) 0.0261(5) Uani 1 1 d . . . . .
H5 H 0.4519 0.8506 0.6316 0.031 Uiso 1 1 calc R U . . .
C6 C 0.46702(6) 0.6658(2) 0.58114(13) 0.0239(5) Uani 1 1 d . . . . .
C7 C 0.45978(6) 0.5767(2) 0.52187(13) 0.0266(5) Uani 1 1 d . . . . .
H7 H 0.4723 0.4891 0.5166 0.032 Uiso 1 1 calc R U . . .
C8 C 0.43448(6) 0.6151(2) 0.47071(13) 0.0247(5) Uani 1 1 d . . . . .
H8 H 0.4303 0.5553 0.4296 0.030 Uiso 1 1 calc R U . . .
C9 C 0.49549(6) 0.6297(3) 0.63110(14) 0.0294(5) Uani 1 1 d . . . . .
C10 C 0.38645(5) 0.4173(2) 0.25528(12) 0.0199(4) Uani 1 1 d . . . . .
H10A H 0.3955 0.4331 0.3053 0.024 Uiso 1 1 calc R U . . .
H10B H 0.3877 0.3117 0.2448 0.024 Uiso 1 1 calc R U . . .
C11 C 0.40835(5) 0.5020(2) 0.20384(12) 0.0207(5) Uani 1 1 d . . . . .
H11A H 0.4070 0.4536 0.1563 0.025 Uiso 1 1 calc R U . . .
H11B H 0.4326 0.5005 0.2225 0.025 Uiso 1 1 calc R U . . .
C12 C 0.32219(5) 0.4009(2) 0.32365(11) 0.0180(4) Uani 1 1 d . . . . .
C13 C 0.30742(6) 0.4914(2) 0.37295(12) 0.0242(5) Uani 1 1 d . . . . .
H13 H 0.3079 0.5941 0.3666 0.029 Uiso 1 1 calc R U . . .
C14 C 0.29191(6) 0.4322(3) 0.43175(13) 0.0297(5) Uani 1 1 d . . . . .
H14 H 0.2820 0.4947 0.4654 0.036 Uiso 1 1 calc R U . . .
C15 C 0.29087(6) 0.2826(3) 0.44124(12) 0.0253(5) Uani 1 1 d . . . . .
H15 H 0.2799 0.2425 0.4808 0.030 Uiso 1 1 calc R U . . .
C16 C 0.30592(5) 0.1916(2) 0.39292(12) 0.0237(5) Uani 1 1 d . . . . .
H16 H 0.3055 0.0890 0.3998 0.028 Uiso 1 1 calc R U . . .
C17 C 0.32155(5) 0.2496(2) 0.33472(12) 0.0219(5) Uani 1 1 d . . . . .
H17 H 0.3319 0.1864 0.3020 0.026 Uiso 1 1 calc R U . . .
C18 C 0.32133(5) 0.3659(2) 0.17339(11) 0.0186(4) Uani 1 1 d . . . . .
C19 C 0.28615(5) 0.3391(3) 0.17285(13) 0.0257(5) Uani 1 1 d . . . . .
H19 H 0.2735 0.3734 0.2114 0.031 Uiso 1 1 calc R U . . .
C20 C 0.26940(6) 0.2634(3) 0.11700(14) 0.0321(6) Uani 1 1 d . . . . .
H20 H 0.2454 0.2464 0.1175 0.038 Uiso 1 1 calc R U . . .
C21 C 0.28740(6) 0.2126(3) 0.06061(13) 0.0306(5) Uani 1 1 d . . . . .
H21 H 0.2759 0.1601 0.0225 0.037 Uiso 1 1 calc R U . . .
C22 C 0.32216(6) 0.2384(3) 0.05987(13) 0.0309(5) Uani 1 1 d . . . . .
H22 H 0.3346 0.2043 0.0210 0.037 Uiso 1 1 calc R U . . .
C23 C 0.33899(6) 0.3142(3) 0.11601(13) 0.0263(5) Uani 1 1 d . . . . .
H23 H 0.3629 0.3310 0.1152 0.032 Uiso 1 1 calc R U . . .
C24 C 0.40451(5) 0.7276(2) 0.10025(12) 0.0210(4) Uani 1 1 d . . . . .
C25 C 0.38267(6) 0.6706(3) 0.04513(12) 0.0260(5) Uani 1 1 d . . . . .
H25 H 0.3625 0.6205 0.0567 0.031 Uiso 1 1 calc R U . . .
C26 C 0.39014(6) 0.6864(3) -0.02622(14) 0.0327(6) Uani 1 1 d . . . . .
H26 H 0.3751 0.6474 -0.0632 0.039 Uiso 1 1 calc R U . . .
C27 C 0.41956(7) 0.7590(3) -0.04332(14) 0.0361(6) Uani 1 1 d . . . . .
H27 H 0.4246 0.7708 -0.0921 0.043 Uiso 1 1 calc R U . . .
C28 C 0.44155(7) 0.8143(3) 0.01035(15) 0.0351(6) Uani 1 1 d . . . . .
H28 H 0.4618 0.8634 -0.0016 0.042 Uiso 1 1 calc R U . . .
C29 C 0.43420(6) 0.7987(2) 0.08207(13) 0.0266(5) Uani 1 1 d . . . . .
H29 H 0.4495 0.8368 0.1187 0.032 Uiso 1 1 calc R U . . .
C30 C 0.42503(5) 0.8062(2) 0.24555(12) 0.0200(4) Uani 1 1 d . . . . .
C31 C 0.42089(6) 0.9568(3) 0.24319(13) 0.0263(5) Uani 1 1 d . . . . .
H31 H 0.4025 0.9978 0.2144 0.032 Uiso 1 1 calc R U . . .
C32 C 0.44329(6) 1.0480(3) 0.28222(14) 0.0309(6) Uani 1 1 d . . . . .
H32 H 0.4407 1.1508 0.2786 0.037 Uiso 1 1 calc R U . . .
C33 C 0.46933(6) 0.9890(3) 0.32641(14) 0.0349(6) Uani 1 1 d . . . . .
H33 H 0.4846 1.0510 0.3537 0.042 Uiso 1 1 calc R U . . .
C34 C 0.47305(6) 0.8400(3) 0.33066(15) 0.0374(6) Uani 1 1 d . . . . .
H34 H 0.4906 0.7993 0.3619 0.045 Uiso 1 1 calc R U . . .
C35 C 0.45141(6) 0.7484(3) 0.28970(14) 0.0288(5) Uani 1 1 d . . . . .
H35 H 0.4547 0.6459 0.2919 0.035 Uiso 1 1 calc R U . . .
C36 C 0.29340(5) 0.8710(3) 0.23021(13) 0.0264(5) Uani 1 1 d . . . . .
H36 H 0.2860 0.9163 0.2756 0.032 Uiso 1 1 calc R U . . .
C37 C 0.28119(5) 0.7375(3) 0.20104(13) 0.0265(5) Uani 1 1 d . . . . .
H37 H 0.2636 0.6729 0.2215 0.032 Uiso 1 1 calc R U . . .
C38 C 0.29735(5) 0.7149(3) 0.13497(13) 0.0257(5) Uani 1 1 d . . . . .
H38 H 0.2927 0.6327 0.1006 0.031 Uiso 1 1 calc R U . . .
C39 C 0.31875(6) 0.8372(3) 0.12386(13) 0.0265(5) Uani 1 1 d . . . . .
H39 H 0.3319 0.8553 0.0804 0.032 Uiso 1 1 calc R U . . .
C40 C 0.31644(6) 0.9342(2) 0.18312(13) 0.0265(5) Uani 1 1 d . . . . .
H40 H 0.3277 1.0317 0.1888 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru N2 2.0850(18) . ?
Ru C38 2.205(2) . ?
Ru C39 2.211(2) . ?
Ru C40 2.234(2) . ?
Ru C36 2.236(2) . ?
Ru C37 2.240(2) . ?
Ru P1 2.2678(6) . ?
Ru P2 2.2831(5) . ?
P1 C12 1.829(2) . ?
P1 C18 1.834(2) . ?
P1 C10 1.845(2) . ?
P2 C30 1.832(2) . ?
P2 C24 1.838(2) . ?
P2 C11 1.861(2) . ?
N1 C1 1.337(3) . ?
N1 N2 1.347(2) . ?
N2 N3 1.333(2) . ?
N3 C2 1.351(3) . ?
N4 C9 1.148(3) . ?
C1 C2 1.386(3) . ?
C2 C3 1.463(3) . ?
C3 C4 1.399(3) . ?
C3 C8 1.402(3) . ?
C4 C5 1.382(3) . ?
C5 C6 1.393(3) . ?
C6 C7 1.391(3) . ?
C6 C9 1.448(3) . ?
C7 C8 1.380(3) . ?
C10 C11 1.534(3) . ?
C12 C13 1.389(3) . ?
C12 C17 1.404(3) . ?
C13 C14 1.395(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.385(3) . ?
C16 C17 1.383(3) . ?
C18 C23 1.391(3) . ?
C18 C19 1.396(3) . ?
C19 C20 1.385(3) . ?
C20 C21 1.381(4) . ?
C21 C22 1.380(3) . ?
C22 C23 1.390(3) . ?
C24 C29 1.390(3) . ?
C24 C25 1.399(3) . ?
C25 C26 1.387(3) . ?
C26 C27 1.383(4) . ?
C27 C28 1.378(4) . ?
C28 C29 1.393(3) . ?
C30 C35 1.387(3) . ?
C30 C31 1.391(3) . ?
C31 C32 1.386(3) . ?
C32 C33 1.382(4) . ?
C33 C34 1.376(4) . ?
C34 C35 1.389(3) . ?
C36 C37 1.412(3) . ?
C36 C40 1.419(3) . ?
C37 C38 1.433(3) . ?
C38 C39 1.421(3) . ?
C39 C40 1.427(3) . ?

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
N2 Ru C38 153.32(8) . . ?
N2 Ru C39 137.88(8) . . ?
C38 Ru C39 37.55(9) . . ?
N2 Ru C40 102.01(8) . . ?
C38 Ru C40 62.69(9) . . ?
C39 Ru C40 37.44(9) . . ?
N2 Ru C36 92.17(8) . . ?
C38 Ru C36 62.22(9) . . ?
C39 Ru C36 62.02(9) . . ?
C40 Ru C36 37.02(8) . . ?
N2 Ru C37 116.68(8) . . ?
C38 Ru C37 37.61(9) . . ?
C39 Ru C37 62.39(9) . . ?
C40 Ru C37 62.08(9) . . ?
C36 Ru C37 36.78(9) . . ?
N2 Ru P1 91.90(5) . . ?
C38 Ru P1 98.53(6) . . ?
C39 Ru P1 130.18(7) . . ?
C40 Ru P1 159.58(6) . . ?
C36 Ru P1 128.80(6) . . ?
C37 Ru P1 98.38(6) . . ?
N2 Ru P2 86.49(5) . . ?
C38 Ru P2 118.88(6) . . ?
C39 Ru P2 98.23(6) . . ?
C40 Ru P2 111.48(6) . . ?
C36 Ru P2 147.25(6) . . ?
C37 Ru P2 156.49(7) . . ?
P1 Ru P2 83.940(19) . . ?
C12 P1 C18 100.74(10) . . ?
C12 P1 C10 103.60(10) . . ?
C18 P1 C10 105.51(10) . . ?
C12 P1 Ru 120.95(7) . . ?
C18 P1 Ru 113.19(7) . . ?
C10 P1 Ru 111.26(7) . . ?
C30 P2 C24 103.12(10) . . ?
C30 P2 C11 106.51(10) . . ?
C24 P2 C11 99.81(10) . . ?
C30 P2 Ru 115.61(7) . . ?
C24 P2 Ru 118.45(7) . . ?
C11 P2 Ru 111.57(7) . . ?
C1 N1 N2 104.98(18) . . ?
N3 N2 N1 112.59(17) . . ?
N3 N2 Ru 127.21(13) . . ?
N1 N2 Ru 119.57(14) . . ?
N2 N3 C2 105.85(17) . . ?
N1 C1 C2 109.2(2) . . ?
N3 C2 C1 107.37(19) . . ?
N3 C2 C3 122.41(19) . . ?
C1 C2 C3 130.2(2) . . ?
C4 C3 C8 118.0(2) . . ?
C4 C3 C2 121.7(2) . . ?
C8 C3 C2 120.2(2) . . ?
C5 C4 C3 121.4(2) . . ?
C4 C5 C6 119.7(2) . . ?
C7 C6 C5 119.7(2) . . ?
C7 C6 C9 119.4(2) . . ?
C5 C6 C9 120.8(2) . . ?
C8 C7 C6 120.3(2) . . ?
C7 C8 C3 120.8(2) . . ?
N4 C9 C6 177.1(3) . . ?
C11 C10 P1 110.23(14) . . ?
C10 C11 P2 111.49(14) . . ?
C13 C12 C17 118.8(2) . . ?
C13 C12 P1 120.24(16) . . ?
C17 C12 P1 120.98(16) . . ?
C12 C13 C14 120.4(2) . . ?
C15 C14 C13 120.3(2) . . ?
C14 C15 C16 119.8(2) . . ?
C17 C16 C15 120.3(2) . . ?
C16 C17 C12 120.5(2) . . ?
C23 C18 C19 117.9(2) . . ?
C23 C18 P1 122.99(16) . . ?
C19 C18 P1 118.97(17) . . ?
C20 C19 C18 121.0(2) . . ?
C21 C20 C19 120.2(2) . . ?
C22 C21 C20 119.7(2) . . ?
C21 C22 C23 120.1(2) . . ?
C22 C23 C18 121.1(2) . . ?
C29 C24 C25 118.5(2) . . ?
C29 C24 P2 123.32(18) . . ?
C25 C24 P2 118.03(17) . . ?
C26 C25 C24 120.9(2) . . ?
C27 C26 C25 119.8(2) . . ?
C28 C27 C26 120.1(2) . . ?
C27 C28 C29 120.4(2) . . ?
C24 C29 C28 120.3(2) . . ?
C35 C30 C31 118.6(2) . . ?
C35 C30 P2 123.48(17) . . ?
C31 C30 P2 117.80(17) . . ?
C32 C31 C30 120.9(2) . . ?
C33 C32 C31 119.8(2) . . ?
C34 C33 C32 119.7(2) . . ?
C33 C34 C35 120.7(2) . . ?
C30 C35 C34 120.2(2) . . ?
C37 C36 C40 109.2(2) . . ?
C37 C36 Ru 71.76(12) . . ?
C40 C36 Ru 71.43(12) . . ?
C36 C37 C38 107.5(2) . . ?
C36 C37 Ru 71.47(12) . . ?
C38 C37 Ru 69.89(12) . . ?
C39 C38 C37 107.7(2) . . ?
C39 C38 Ru 71.45(12) . . ?
C37 C38 Ru 72.49(12) . . ?
C38 C39 C40 108.3(2) . . ?
C38 C39 Ru 71.00(13) . . ?
C40 C39 Ru 72.15(13) . . ?
C36 C40 C39 107.2(2) . . ?
C36 C40 Ru 71.56(12) . . ?
C39 C40 Ru 70.41(12) . . ?

_refine_diff_density_max         0.457
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.068

####################################################################### 
# 
# 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_ic19624
_database_code_depnum_ccdc_archive 'CCDC 2191752'
loop_
_audit_author_name
_audit_author_address
'Gene-Hsiang Lee'
;Naitional Taiwan Normal University
Taiwan
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H37 N3 P2 Ru'
_chemical_formula_weight         722.73

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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5899(3)
_cell_length_b                   11.8945(3)
_cell_length_c                   12.2685(3)
_cell_angle_alpha                87.7701(8)
_cell_angle_beta                 77.0758(6)
_cell_angle_gamma                84.2939(7)
_cell_volume                     1640.03(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    19805
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      30.05

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_F_000             744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.266
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.206
_exptl_absorpt_coefficient_mu    0.610
_shelx_estimated_absorpt_T_min   0.855
_shelx_estimated_absorpt_T_max   0.885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6920
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18965
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.195
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9569
_reflns_number_gt                8713
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0148P)²+1.0179P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9569
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0635
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ru Ru 0.00744(2) 0.82967(2) 0.20983(2) 0.01261(4) Uani 1 1 d . . . . .
P1 P -0.10898(3) 0.69435(3) 0.18161(3) 0.01298(8) Uani 1 1 d . . . . .
P2 P 0.09802(3) 0.68395(3) 0.29540(3) 0.01368(8) Uani 1 1 d . . . . .
N1 N 0.13362(14) 0.70307(13) -0.00654(13) 0.0268(3) Uani 1 1 d . . . . .
N2 N 0.12312(12) 0.79606(11) 0.05351(12) 0.0178(3) Uani 1 1 d . . . . .
N3 N 0.20670(13) 0.86591(12) 0.00857(12) 0.0198(3) Uani 1 1 d . . . . .
C1 C 0.22709(17) 0.71359(15) -0.09291(16) 0.0271(4) Uani 1 1 d . . . . .
H1 H 0.256229 0.660337 -0.150646 0.033 Uiso 1 1 calc R U . . .
C2 C 0.27371(14) 0.81453(13) -0.08383(14) 0.0184(3) Uani 1 1 d . . . . .
C3 C 0.37713(14) 0.86270(14) -0.15435(14) 0.0187(3) Uani 1 1 d . . . . .
C4 C 0.42433(16) 0.95547(14) -0.12066(15) 0.0227(3) Uani 1 1 d . . . . .
H4 H 0.388983 0.988057 -0.050143 0.027 Uiso 1 1 calc R U . . .
C5 C 0.52207(16) 1.00127(15) -0.18817(16) 0.0250(4) Uani 1 1 d . . . . .
H5 H 0.551425 1.065234 -0.163424 0.030 Uiso 1 1 calc R U . . .
C6 C 0.57769(15) 0.95509(15) -0.29135(15) 0.0235(3) Uani 1 1 d . . . . .
C7 C 0.53125(17) 0.86190(17) -0.32457(16) 0.0287(4) Uani 1 1 d . . . . .
H7 H 0.567816 0.828517 -0.394434 0.034 Uiso 1 1 calc R U . . .
C8 C 0.43361(16) 0.81678(15) -0.25876(15) 0.0244(4) Uani 1 1 d . . . . .
H8 H 0.403926 0.753497 -0.284415 0.029 Uiso 1 1 calc R U . . .
C9 C 0.68440(17) 1.00326(18) -0.36523(18) 0.0319(4) Uani 1 1 d . . . . .
H9A H 0.753353 0.946896 -0.373830 0.048 Uiso 1 1 calc R U . . .
H9B H 0.701432 1.071053 -0.331024 0.048 Uiso 1 1 calc R U . . .
H9C H 0.667709 1.023094 -0.438810 0.048 Uiso 1 1 calc R U . . .
C10 C -0.02783(14) 0.55437(12) 0.18561(14) 0.0168(3) Uani 1 1 d . . . . .
H10A H -0.083708 0.495150 0.194818 0.020 Uiso 1 1 calc R U . . .
H10B H 0.031834 0.541272 0.114653 0.020 Uiso 1 1 calc R U . . .
C11 C 0.03392(14) 0.54870(13) 0.28360(14) 0.0182(3) Uani 1 1 d . . . . .
H11A H 0.098053 0.485967 0.272546 0.022 Uiso 1 1 calc R U . . .
H11B H -0.024058 0.533337 0.353808 0.022 Uiso 1 1 calc R U . . .
C12 C -0.17101(13) 0.69556(13) 0.05724(13) 0.0145(3) Uani 1 1 d . . . . .
C13 C -0.20013(15) 0.79855(14) 0.00690(14) 0.0202(3) Uani 1 1 d . . . . .
H13 H -0.176080 0.866339 0.029622 0.024 Uiso 1 1 calc R U . . .
C14 C -0.26449(16) 0.80196(15) -0.07669(15) 0.0237(3) Uani 1 1 d . . . . .
H14 H -0.285204 0.872383 -0.109894 0.028 Uiso 1 1 calc R U . . .
C15 C -0.29845(15) 0.70362(16) -0.11168(14) 0.0240(4) Uani 1 1 d . . . . .
H15 H -0.343081 0.706614 -0.168099 0.029 Uiso 1 1 calc R U . . .
C16 C -0.26709(16) 0.60060(16) -0.06408(14) 0.0240(4) Uani 1 1 d . . . . .
H16 H -0.288630 0.532728 -0.089152 0.029 Uiso 1 1 calc R U . . .
C17 C -0.20432(15) 0.59670(14) 0.02008(14) 0.0192(3) Uani 1 1 d . . . . .
H17 H -0.183753 0.525975 0.052829 0.023 Uiso 1 1 calc R U . . .
C18 C -0.24718(14) 0.68287(13) 0.28813(13) 0.0153(3) Uani 1 1 d . . . . .
C19 C -0.33638(15) 0.77247(14) 0.30033(15) 0.0220(3) Uani 1 1 d . . . . .
H19 H -0.324719 0.837693 0.253427 0.026 Uiso 1 1 calc R U . . .
C20 C -0.44198(16) 0.76762(16) 0.38009(16) 0.0267(4) Uani 1 1 d . . . . .
H20 H -0.501710 0.829331 0.387228 0.032 Uiso 1 1 calc R U . . .
C21 C -0.46048(16) 0.67317(16) 0.44924(15) 0.0257(4) Uani 1 1 d . . . . .
H21 H -0.532517 0.670131 0.503965 0.031 Uiso 1 1 calc R U . . .
C22 C -0.37365(16) 0.58354(16) 0.43814(15) 0.0239(4) Uani 1 1 d . . . . .
H22 H -0.386049 0.518720 0.485495 0.029 Uiso 1 1 calc R U . . .
C23 C -0.26791(15) 0.58753(14) 0.35790(14) 0.0203(3) Uani 1 1 d . . . . .
H23 H -0.209223 0.524915 0.350413 0.024 Uiso 1 1 calc R U . . .
C24 C 0.07361(15) 0.70004(13) 0.44718(14) 0.0189(3) Uani 1 1 d . . . . .
C25 C -0.04310(17) 0.70602(15) 0.51106(15) 0.0249(4) Uani 1 1 d . . . . .
H25 H -0.106786 0.696812 0.476065 0.030 Uiso 1 1 calc R U . . .
C26 C -0.0666(2) 0.72532(15) 0.62533(16) 0.0317(4) Uani 1 1 d . . . . .
H26 H -0.146052 0.728363 0.667908 0.038 Uiso 1 1 calc R U . . .
C27 C 0.0245(2) 0.74008(15) 0.67731(16) 0.0352(5) Uani 1 1 d . . . . .
H27 H 0.008173 0.752422 0.755531 0.042 Uiso 1 1 calc R U . . .
C28 C 0.1397(2) 0.73679(17) 0.61487(17) 0.0351(5) Uani 1 1 d . . . . .
H28 H 0.202508 0.748153 0.650270 0.042 Uiso 1 1 calc R U . . .
C29 C 0.16476(17) 0.71695(15) 0.50041(15) 0.0257(4) Uani 1 1 d . . . . .
H29 H 0.244428 0.714940 0.458391 0.031 Uiso 1 1 calc R U . . .
C30 C 0.25768(14) 0.64077(13) 0.25575(13) 0.0156(3) Uani 1 1 d . . . . .
C31 C 0.33341(15) 0.70355(15) 0.17820(14) 0.0211(3) Uani 1 1 d . . . . .
H31 H 0.303297 0.772634 0.148893 0.025 Uiso 1 1 calc R U . . .
C32 C 0.45342(16) 0.66546(17) 0.14329(16) 0.0288(4) Uani 1 1 d . . . . .
H32 H 0.504590 0.708478 0.089941 0.035 Uiso 1 1 calc R U . . .
C33 C 0.49818(16) 0.56534(17) 0.18602(16) 0.0278(4) Uani 1 1 d . . . . .
H33 H 0.579560 0.538855 0.160768 0.033 Uiso 1 1 calc R U . . .
C34 C 0.42461(15) 0.50381(15) 0.26541(15) 0.0236(4) Uani 1 1 d . . . . .
H34 H 0.455904 0.436051 0.296120 0.028 Uiso 1 1 calc R U . . .
C35 C 0.30509(15) 0.54087(14) 0.30034(14) 0.0190(3) Uani 1 1 d . . . . .
H35 H 0.254913 0.498205 0.354946 0.023 Uiso 1 1 calc R U . . .
C36 C 0.00970(17) 0.95007(14) 0.34119(15) 0.0238(4) Uani 1 1 d . . . . .
H36 H 0.047409 0.933944 0.406601 0.029 Uiso 1 1 calc R U . . .
C37 C -0.11047(16) 0.93691(14) 0.33972(15) 0.0237(4) Uani 1 1 d . . . . .
H37 H -0.172164 0.910508 0.403670 0.028 Uiso 1 1 calc R U . . .
C38 C -0.12993(16) 0.97938(14) 0.23403(16) 0.0240(4) Uani 1 1 d . . . . .
H38 H -0.207337 0.984958 0.210093 0.029 Uiso 1 1 calc R U . . .
C39 C -0.02286(17) 1.01477(13) 0.17085(15) 0.0234(4) Uani 1 1 d . . . . .
H39 H -0.011018 1.050153 0.094345 0.028 Uiso 1 1 calc R U . . .
C40 C 0.06496(16) 0.99656(13) 0.23654(16) 0.0235(4) Uani 1 1 d . . . . .
H40 H 0.148094 1.018896 0.215209 0.028 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru N2 2.1067(14) . ?
Ru C36 2.2034(16) . ?
Ru C37 2.2071(17) . ?
Ru C40 2.2145(16) . ?
Ru C39 2.2448(16) . ?
Ru C38 2.2494(16) . ?
Ru P2 2.2800(4) . ?
Ru P1 2.2837(4) . ?
P1 C12 1.8254(16) . ?
P1 C10 1.8335(15) . ?
P1 C18 1.8400(16) . ?
P2 C30 1.8309(16) . ?
P2 C24 1.8345(17) . ?
P2 C11 1.8614(16) . ?
N1 N2 1.333(2) . ?
N1 C1 1.347(2) . ?
N2 N3 1.3483(19) . ?
N3 C2 1.352(2) . ?
C1 C2 1.383(2) . ?
C2 C3 1.466(2) . ?
C3 C4 1.394(2) . ?
C3 C8 1.406(2) . ?
C4 C5 1.391(2) . ?
C5 C6 1.392(3) . ?
C6 C7 1.391(3) . ?
C6 C9 1.509(3) . ?
C7 C8 1.378(3) . ?
C10 C11 1.527(2) . ?
C12 C13 1.396(2) . ?
C12 C17 1.397(2) . ?
C13 C14 1.394(2) . ?
C14 C15 1.383(3) . ?
C15 C16 1.388(3) . ?
C16 C17 1.387(2) . ?
C18 C19 1.397(2) . ?
C18 C23 1.401(2) . ?
C19 C20 1.390(2) . ?
C20 C21 1.386(3) . ?
C21 C22 1.380(3) . ?
C22 C23 1.393(2) . ?
C24 C29 1.394(2) . ?
C24 C25 1.400(2) . ?
C25 C26 1.391(3) . ?
C26 C27 1.378(3) . ?
C27 C28 1.380(3) . ?
C28 C29 1.393(3) . ?
C30 C31 1.391(2) . ?
C30 C35 1.403(2) . ?
C31 C32 1.395(2) . ?
C32 C33 1.383(3) . ?
C33 C34 1.381(3) . ?
C34 C35 1.387(2) . ?
C36 C40 1.418(3) . ?
C36 C37 1.421(3) . ?
C37 C38 1.430(3) . ?
C38 C39 1.402(3) . ?
C39 C40 1.429(2) . ?

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
N2 Ru C36 131.87(6) . . ?
N2 Ru C37 155.46(6) . . ?
C36 Ru C37 37.59(7) . . ?
N2 Ru C40 97.77(6) . . ?
C36 Ru C40 37.45(7) . . ?
C37 Ru C40 62.79(7) . . ?
N2 Ru C39 93.35(6) . . ?
C36 Ru C39 62.15(6) . . ?
C37 Ru C39 62.13(7) . . ?
C40 Ru C39 37.37(6) . . ?
N2 Ru C38 121.57(6) . . ?
C36 Ru C38 62.08(7) . . ?
C37 Ru C38 37.41(7) . . ?
C40 Ru C38 61.88(7) . . ?
C39 Ru C38 36.36(7) . . ?
N2 Ru P2 92.48(4) . . ?
C36 Ru P2 93.23(5) . . ?
C37 Ru P2 108.61(5) . . ?
C40 Ru P2 113.48(5) . . ?
C39 Ru P2 150.83(5) . . ?
C38 Ru P2 145.71(5) . . ?
N2 Ru P1 90.74(4) . . ?
C36 Ru P1 137.39(5) . . ?
C37 Ru P1 103.84(5) . . ?
C40 Ru P1 160.91(5) . . ?
C39 Ru P1 125.43(5) . . ?
C38 Ru P1 99.12(5) . . ?
P2 Ru P1 83.008(14) . . ?
C12 P1 C10 105.32(7) . . ?
C12 P1 C18 98.42(7) . . ?
C10 P1 C18 103.55(7) . . ?
C12 P1 Ru 121.85(5) . . ?
C10 P1 Ru 109.51(5) . . ?
C18 P1 Ru 116.16(5) . . ?
C30 P2 C24 102.34(7) . . ?
C30 P2 C11 101.54(7) . . ?
C24 P2 C11 102.76(8) . . ?
C30 P2 Ru 123.14(5) . . ?
C24 P2 Ru 113.20(5) . . ?
C11 P2 Ru 111.45(5) . . ?
N2 N1 C1 105.86(14) . . ?
N1 N2 N3 111.75(13) . . ?
N1 N2 Ru 126.91(11) . . ?
N3 N2 Ru 120.98(11) . . ?
N2 N3 C2 106.25(13) . . ?
N1 C1 C2 108.91(15) . . ?
N3 C2 C1 107.23(15) . . ?
N3 C2 C3 122.83(15) . . ?
C1 C2 C3 129.92(16) . . ?
C4 C3 C8 117.07(16) . . ?
C4 C3 C2 121.58(15) . . ?
C8 C3 C2 121.35(15) . . ?
C5 C4 C3 121.35(16) . . ?
C4 C5 C6 121.21(17) . . ?
C7 C6 C5 117.45(17) . . ?
C7 C6 C9 120.69(17) . . ?
C5 C6 C9 121.87(17) . . ?
C8 C7 C6 121.71(17) . . ?
C7 C8 C3 121.20(17) . . ?
C11 C10 P1 108.80(11) . . ?
C10 C11 P2 110.70(10) . . ?
C13 C12 C17 118.90(15) . . ?
C13 C12 P1 119.54(12) . . ?
C17 C12 P1 121.03(12) . . ?
C14 C13 C12 120.02(16) . . ?
C15 C14 C13 120.53(16) . . ?
C14 C15 C16 119.76(16) . . ?
C17 C16 C15 120.02(16) . . ?
C16 C17 C12 120.74(15) . . ?
C19 C18 C23 117.98(15) . . ?
C19 C18 P1 119.05(12) . . ?
C23 C18 P1 122.97(12) . . ?
C20 C19 C18 120.98(16) . . ?
C21 C20 C19 120.29(17) . . ?
C22 C21 C20 119.61(16) . . ?
C21 C22 C23 120.41(16) . . ?
C22 C23 C18 120.73(16) . . ?
C29 C24 C25 118.35(16) . . ?
C29 C24 P2 122.86(13) . . ?
C25 C24 P2 118.51(13) . . ?
C26 C25 C24 120.53(19) . . ?
C27 C26 C25 120.55(19) . . ?
C26 C27 C28 119.49(18) . . ?
C27 C28 C29 120.7(2) . . ?
C28 C29 C24 120.39(19) . . ?
C31 C30 C35 118.74(15) . . ?
C31 C30 P2 121.00(12) . . ?
C35 C30 P2 120.22(12) . . ?
C30 C31 C32 120.26(16) . . ?
C33 C32 C31 120.27(17) . . ?
C34 C33 C32 120.02(16) . . ?
C33 C34 C35 120.08(16) . . ?
C34 C35 C30 120.58(16) . . ?
C40 C36 C37 108.43(16) . . ?
C40 C36 Ru 71.70(10) . . ?
C37 C36 Ru 71.35(10) . . ?
C36 C37 C38 107.31(16) . . ?
C36 C37 Ru 71.06(10) . . ?
C38 C37 Ru 72.90(10) . . ?
C39 C38 C37 108.42(16) . . ?
C39 C38 Ru 71.64(9) . . ?
C37 C38 Ru 69.69(9) . . ?
C38 C39 C40 108.33(16) . . ?
C38 C39 Ru 72.00(9) . . ?
C40 C39 Ru 70.17(9) . . ?
C36 C40 C39 107.49(16) . . ?
C36 C40 Ru 70.85(9) . . ?
C39 C40 Ru 72.46(9) . . ?

_refine_diff_density_max         0.426
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.070

####################################################################### 
# 
# 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_ic19625
_database_code_depnum_ccdc_archive 'CCDC 2191750'
loop_
_audit_author_name
_audit_author_address
'Gene-Hsiang Lee'
;Naitional Taiwan Normal University
Taiwan
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H35 N3 O P2 Ru'
_chemical_formula_weight         736.72

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

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                   39.1531(12)
_cell_length_b                   9.1339(2)
_cell_length_c                   18.7253(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.2890(9)
_cell_angle_gamma                90
_cell_volume                     6677.8(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    17856
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.02

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_F_000             3024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.164
_exptl_crystal_size_min          0.079
_exptl_absorpt_coefficient_mu    0.603
_shelx_estimated_absorpt_T_min   0.845
_shelx_estimated_absorpt_T_max   0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6318
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26171
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.290
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9736
_reflns_number_gt                8085
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0223P)²+8.0745P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9736
_refine_ls_number_parameters     449
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0758
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
Ru Ru 0.33826(2) 0.28247(2) 0.22452(2) 0.01633(4) Uani 1 1 d . . . . .
P1 P 0.34120(2) 0.52532(5) 0.24838(3) 0.01704(10) Uani 1 1 d . . . . .
P2 P 0.39375(2) 0.31101(5) 0.19784(3) 0.01898(10) Uani 1 1 d . . . . .
N1 N 0.35070(5) 0.09726(18) 0.35496(10) 0.0283(4) Uani 1 1 d . . . . .
N2 N 0.35773(4) 0.22951(17) 0.32784(9) 0.0203(3) Uani 1 1 d . . . . .
N3 N 0.38073(4) 0.30376(17) 0.36939(9) 0.0210(3) Uani 1 1 d . . . . .
O1 O 0.51405(10) 0.4280(4) 0.6514(2) 0.0598(9) Uani 0.641(3) 1 d . . P A 1
O1' O 0.51016(19) 0.3571(8) 0.6802(4) 0.0598(9) Uani 0.359(3) 1 d . . P A 2
C1 C 0.37034(6) 0.0885(2) 0.41670(11) 0.0299(5) Uani 1 1 d . . . . .
H1 H 0.371191 0.007623 0.448674 0.036 Uiso 1 1 calc R U . . .
C2 C 0.38917(5) 0.2163(2) 0.42634(10) 0.0229(4) Uani 1 1 d . . . . .
C3 C 0.4135(3) 0.2457(8) 0.4844(7) 0.0182(11) Uani 0.641(3) 1 d . . P A 1
C4 C 0.41716(15) 0.1604(6) 0.5461(4) 0.0265(8) Uani 0.641(3) 1 d . . P A 1
H4 H 0.402151 0.079993 0.551289 0.032 Uiso 0.641(3) 1 calc R U P A 1
C5 C 0.44244(13) 0.1910(5) 0.6001(3) 0.0287(9) Uani 0.641(3) 1 d . . P A 1
H5 H 0.444739 0.129679 0.641177 0.034 Uiso 0.641(3) 1 calc R U P A 1
C6 C 0.46420(12) 0.3084(5) 0.5955(2) 0.0257(8) Uani 0.641(3) 1 d . . P A 1
C7 C 0.46023(16) 0.3972(5) 0.5352(3) 0.0325(10) Uani 0.641(3) 1 d . . P A 1
H7 H 0.474473 0.480780 0.531869 0.039 Uiso 0.641(3) 1 calc R U P A 1
C8 C 0.4361(3) 0.3663(8) 0.4806(4) 0.0274(11) Uani 0.641(3) 1 d . . P A 1
H8 H 0.434507 0.426911 0.439237 0.033 Uiso 0.641(3) 1 calc R U P A 1
C9 C 0.49105(11) 0.3362(5) 0.6531(2) 0.0368(8) Uani 0.641(3) 1 d . . P A 1
H9 H 0.490618 0.278572 0.695276 0.044 Uiso 0.641(3) 1 calc R U P A 1
C3' C 0.4176(5) 0.2773(17) 0.4818(14) 0.0182(11) Uani 0.359(3) 1 d . . P A 2
C4' C 0.4246(3) 0.1966(12) 0.5455(8) 0.0265(8) Uani 0.359(3) 1 d . . P A 2
H4' H 0.411289 0.112552 0.554694 0.032 Uiso 0.359(3) 1 calc R U P A 2
C5' C 0.4501(3) 0.2391(10) 0.5935(6) 0.0287(9) Uani 0.359(3) 1 d . . P A 2
H5' H 0.455059 0.184305 0.636138 0.034 Uiso 0.359(3) 1 calc R U P A 2
C6' C 0.4690(2) 0.3624(9) 0.5803(5) 0.0257(8) Uani 0.359(3) 1 d . . P A 2
C7' C 0.4619(3) 0.4423(10) 0.5192(6) 0.0325(10) Uani 0.359(3) 1 d . . P A 2
H7' H 0.474949 0.527758 0.511201 0.039 Uiso 0.359(3) 1 calc R U P A 2
C8' C 0.4354(6) 0.3991(17) 0.4674(9) 0.0274(11) Uani 0.359(3) 1 d . . P A 2
H8' H 0.430418 0.453541 0.424668 0.033 Uiso 0.359(3) 1 calc R U P A 2
C9' C 0.4983(2) 0.4142(9) 0.6292(4) 0.0368(8) Uani 0.359(3) 1 d . . P A 2
H9' H 0.508370 0.504622 0.617019 0.044 Uiso 0.359(3) 1 calc R U P A 2
C10 C 0.38602(5) 0.5877(2) 0.25982(11) 0.0217(4) Uani 1 1 d . . . . .
H10A H 0.387109 0.693891 0.249762 0.026 Uiso 1 1 calc R U . . .
H10B H 0.395094 0.571316 0.309967 0.026 Uiso 1 1 calc R U . . .
C11 C 0.40803(5) 0.5043(2) 0.20907(11) 0.0239(4) Uani 1 1 d . . . . .
H11A H 0.432265 0.506371 0.228407 0.029 Uiso 1 1 calc R U . . .
H11B H 0.406552 0.553352 0.161794 0.029 Uiso 1 1 calc R U . . .
C12 C 0.32199(5) 0.6022(2) 0.32604(10) 0.0187(4) Uani 1 1 d . . . . .
C13 C 0.30748(5) 0.5105(2) 0.37482(11) 0.0252(4) Uani 1 1 d . . . . .
H13 H 0.308082 0.407416 0.368184 0.030 Uiso 1 1 calc R U . . .
C14 C 0.29216(6) 0.5681(2) 0.43304(11) 0.0303(5) Uani 1 1 d . . . . .
H14 H 0.282521 0.504508 0.466301 0.036 Uiso 1 1 calc R U . . .
C15 C 0.29091(5) 0.7182(2) 0.44269(11) 0.0267(4) Uani 1 1 d . . . . .
H15 H 0.279902 0.757629 0.481919 0.032 Uiso 1 1 calc R U . . .
C16 C 0.30564(5) 0.8107(2) 0.39531(11) 0.0254(4) Uani 1 1 d . . . . .
H16 H 0.305120 0.913652 0.402495 0.030 Uiso 1 1 calc R U . . .
C17 C 0.32121(5) 0.7534(2) 0.33724(10) 0.0228(4) Uani 1 1 d . . . . .
H17 H 0.331393 0.817305 0.304915 0.027 Uiso 1 1 calc R U . . .
C18 C 0.32093(5) 0.6380(2) 0.17620(10) 0.0195(4) Uani 1 1 d . . . . .
C19 C 0.28580(5) 0.6646(2) 0.17471(11) 0.0274(4) Uani 1 1 d . . . . .
H19 H 0.273255 0.631189 0.213045 0.033 Uiso 1 1 calc R U . . .
C20 C 0.26895(6) 0.7393(3) 0.11798(13) 0.0346(5) Uani 1 1 d . . . . .
H20 H 0.244971 0.755647 0.117461 0.042 Uiso 1 1 calc R U . . .
C21 C 0.28694(6) 0.7900(2) 0.06216(12) 0.0319(5) Uani 1 1 d . . . . .
H21 H 0.275429 0.841975 0.023555 0.038 Uiso 1 1 calc R U . . .
C22 C 0.32156(6) 0.7648(2) 0.06285(11) 0.0315(5) Uani 1 1 d . . . . .
H22 H 0.333968 0.798750 0.024427 0.038 Uiso 1 1 calc R U . . .
C23 C 0.33847(6) 0.6898(2) 0.11951(11) 0.0269(4) Uani 1 1 d . . . . .
H23 H 0.362436 0.673708 0.119532 0.032 Uiso 1 1 calc R U . . .
C24 C 0.42520(5) 0.2002(2) 0.25062(10) 0.0220(4) Uani 1 1 d . . . . .
C25 C 0.42032(6) 0.0492(2) 0.25205(12) 0.0306(5) Uani 1 1 d . . . . .
H25 H 0.401287 0.007400 0.224959 0.037 Uiso 1 1 calc R U . . .
C26 C 0.44272(6) -0.0408(3) 0.29225(13) 0.0354(5) Uani 1 1 d . . . . .
H26 H 0.439565 -0.143937 0.291037 0.042 Uiso 1 1 calc R U . . .
C27 C 0.46955(6) 0.0190(3) 0.33395(13) 0.0397(6) Uani 1 1 d . . . . .
H27 H 0.484819 -0.042484 0.362028 0.048 Uiso 1 1 calc R U . . .
C28 C 0.47419(7) 0.1679(3) 0.33487(16) 0.0496(7) Uani 1 1 d . . . . .
H28 H 0.492332 0.209438 0.364763 0.060 Uiso 1 1 calc R U . . .
C29 C 0.45259(6) 0.2583(3) 0.29244(14) 0.0374(6) Uani 1 1 d . . . . .
H29 H 0.456618 0.360813 0.292096 0.045 Uiso 1 1 calc R U . . .
C30 C 0.40423(5) 0.2788(2) 0.10533(10) 0.0230(4) Uani 1 1 d . . . . .
C31 C 0.38266(6) 0.3381(2) 0.04999(11) 0.0285(4) Uani 1 1 d . . . . .
H31 H 0.362710 0.389928 0.061137 0.034 Uiso 1 1 calc R U . . .
C32 C 0.38989(6) 0.3225(3) -0.02092(12) 0.0356(5) Uani 1 1 d . . . . .
H32 H 0.374970 0.363290 -0.058050 0.043 Uiso 1 1 calc R U . . .
C33 C 0.41886(8) 0.2474(3) -0.03732(13) 0.0435(6) Uani 1 1 d . . . . .
H33 H 0.423805 0.235857 -0.085901 0.052 Uiso 1 1 calc R U . . .
C34 C 0.44063(8) 0.1892(3) 0.01642(14) 0.0467(7) Uani 1 1 d . . . . .
H34 H 0.460688 0.138677 0.004828 0.056 Uiso 1 1 calc R U . . .
C35 C 0.43337(6) 0.2041(3) 0.08787(12) 0.0341(5) Uani 1 1 d . . . . .
H35 H 0.448401 0.163028 0.124711 0.041 Uiso 1 1 calc R U . . .
C36 C 0.31916(6) 0.1660(2) 0.12598(11) 0.0270(4) Uani 1 1 d . . . . .
H36 H 0.332451 0.148235 0.083243 0.032 Uiso 1 1 calc R U . . .
C37 C 0.29779(5) 0.2884(2) 0.13606(11) 0.0263(4) Uani 1 1 d . . . . .
H37 H 0.293148 0.370909 0.101585 0.032 Uiso 1 1 calc R U . . .
C38 C 0.28150(5) 0.2653(2) 0.20122(12) 0.0278(4) Uani 1 1 d . . . . .
H38 H 0.263856 0.330030 0.220897 0.033 Uiso 1 1 calc R U . . .
C39 C 0.29362(5) 0.1316(2) 0.23069(11) 0.0269(4) Uani 1 1 d . . . . .
H39 H 0.286143 0.085763 0.275461 0.032 Uiso 1 1 calc R U . . .
C40 C 0.31683(5) 0.0683(2) 0.18448(11) 0.0261(4) Uani 1 1 d . . . . .
H40 H 0.328138 -0.029538 0.190377 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru N2 2.0827(16) . ?
Ru C37 2.2056(19) . ?
Ru C36 2.2110(19) . ?
Ru C40 2.2356(19) . ?
Ru C39 2.236(2) . ?
Ru C38 2.238(2) . ?
Ru P1 2.2640(5) . ?
Ru P2 2.2803(5) . ?
P1 C12 1.8266(19) . ?
P1 C18 1.8316(19) . ?
P1 C10 1.8422(19) . ?
P2 C24 1.8268(19) . ?
P2 C30 1.834(2) . ?
P2 C11 1.859(2) . ?
N1 C1 1.342(3) . ?
N1 N2 1.347(2) . ?
N2 N3 1.331(2) . ?
N3 C2 1.353(2) . ?
O1 C9 1.232(6) . ?
O1' C9' 1.155(12) . ?
C1 C2 1.385(3) . ?
C2 C3 1.418(12) . ?
C2 C3' 1.57(2) . ?
C3 C4 1.391(13) . ?
C3 C8 1.419(9) . ?
C4 C5 1.391(7) . ?
C5 C6 1.376(5) . ?
C6 C7 1.389(6) . ?
C6 C9 1.472(6) . ?
C7 C8 1.368(11) . ?
C3' C8' 1.351(19) . ?
C3' C4' 1.41(3) . ?
C4' C5' 1.350(15) . ?
C5' C6' 1.379(10) . ?
C6' C7' 1.367(11) . ?
C6' C9' 1.492(12) . ?
C7' C8' 1.42(2) . ?
C10 C11 1.532(3) . ?
C12 C13 1.391(3) . ?
C12 C17 1.398(3) . ?
C13 C14 1.387(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.383(3) . ?
C16 C17 1.388(3) . ?
C18 C23 1.390(3) . ?
C18 C19 1.395(3) . ?
C19 C20 1.387(3) . ?
C20 C21 1.383(3) . ?
C21 C22 1.374(3) . ?
C22 C23 1.388(3) . ?
C24 C29 1.385(3) . ?
C24 C25 1.392(3) . ?
C25 C26 1.383(3) . ?
C26 C27 1.374(3) . ?
C27 C28 1.372(4) . ?
C28 C29 1.388(3) . ?
C30 C35 1.389(3) . ?
C30 C31 1.396(3) . ?
C31 C32 1.385(3) . ?
C32 C33 1.380(4) . ?
C33 C34 1.376(4) . ?
C34 C35 1.395(3) . ?
C36 C37 1.417(3) . ?
C36 C40 1.421(3) . ?
C37 C38 1.434(3) . ?
C38 C39 1.408(3) . ?
C39 C40 1.423(3) . ?

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
N2 Ru C37 153.62(7) . . ?
N2 Ru C36 137.81(7) . . ?
C37 Ru C36 37.44(8) . . ?
N2 Ru C40 102.15(7) . . ?
C37 Ru C40 62.56(8) . . ?
C36 Ru C40 37.27(8) . . ?
N2 Ru C39 92.41(7) . . ?
C37 Ru C39 62.20(8) . . ?
C36 Ru C39 61.94(8) . . ?
C40 Ru C39 37.12(8) . . ?
N2 Ru C38 117.00(7) . . ?
C37 Ru C38 37.65(8) . . ?
C36 Ru C38 62.28(8) . . ?
C40 Ru C38 62.04(8) . . ?
C39 Ru C38 36.70(8) . . ?
N2 Ru P1 91.98(4) . . ?
C37 Ru P1 98.46(6) . . ?
C36 Ru P1 130.17(6) . . ?
C40 Ru P1 159.34(6) . . ?
C39 Ru P1 128.49(6) . . ?
C38 Ru P1 98.17(6) . . ?
N2 Ru P2 86.64(5) . . ?
C37 Ru P2 118.38(6) . . ?
C36 Ru P2 98.07(6) . . ?
C40 Ru P2 111.49(6) . . ?
C39 Ru P2 147.47(6) . . ?
C38 Ru P2 156.03(6) . . ?
P1 Ru P2 84.028(18) . . ?
C12 P1 C18 100.96(9) . . ?
C12 P1 C10 103.53(9) . . ?
C18 P1 C10 105.59(9) . . ?
C12 P1 Ru 121.04(6) . . ?
C18 P1 Ru 113.08(6) . . ?
C10 P1 Ru 111.08(6) . . ?
C24 P2 C30 103.45(9) . . ?
C24 P2 C11 106.27(9) . . ?
C30 P2 C11 99.94(9) . . ?
C24 P2 Ru 115.65(7) . . ?
C30 P2 Ru 118.23(7) . . ?
C11 P2 Ru 111.55(7) . . ?
C1 N1 N2 104.95(17) . . ?
N3 N2 N1 112.65(15) . . ?
N3 N2 Ru 127.55(12) . . ?
N1 N2 Ru 119.18(12) . . ?
N2 N3 C2 105.94(16) . . ?
N1 C1 C2 109.09(18) . . ?
N3 C2 C1 107.36(17) . . ?
N3 C2 C3 127.2(3) . . ?
C1 C2 C3 125.5(3) . . ?
N3 C2 C3' 115.6(7) . . ?
C1 C2 C3' 136.9(7) . . ?
C4 C3 C2 123.5(4) . . ?
C4 C3 C8 116.9(9) . . ?
C2 C3 C8 119.6(8) . . ?
C5 C4 C3 121.0(4) . . ?
C6 C5 C4 121.4(4) . . ?
C5 C6 C7 118.3(4) . . ?
C5 C6 C9 120.0(4) . . ?
C7 C6 C9 121.7(4) . . ?
C8 C7 C6 121.0(4) . . ?
C7 C8 C3 121.4(6) . . ?
O1 C9 C6 125.6(4) . . ?
C8' C3' C4' 121.9(17) . . ?
C8' C3' C2 120.8(18) . . ?
C4' C3' C2 117.2(9) . . ?
C5' C4' C3' 119.9(10) . . ?
C4' C5' C6' 119.7(9) . . ?
C7' C6' C5' 120.6(9) . . ?
C7' C6' C9' 116.2(8) . . ?
C5' C6' C9' 123.2(8) . . ?
C6' C7' C8' 120.8(9) . . ?
C3' C8' C7' 117.0(14) . . ?
O1' C9' C6' 127.4(9) . . ?
C11 C10 P1 110.45(13) . . ?
C10 C11 P2 111.32(13) . . ?
C13 C12 C17 118.79(18) . . ?
C13 C12 P1 120.27(14) . . ?
C17 C12 P1 120.94(15) . . ?
C14 C13 C12 120.64(19) . . ?
C15 C14 C13 120.0(2) . . ?
C16 C15 C14 120.1(2) . . ?
C15 C16 C17 120.03(19) . . ?
C16 C17 C12 120.42(18) . . ?
C23 C18 C19 117.90(18) . . ?
C23 C18 P1 122.92(15) . . ?
C19 C18 P1 119.01(15) . . ?
C20 C19 C18 120.9(2) . . ?
C21 C20 C19 120.2(2) . . ?
C22 C21 C20 119.6(2) . . ?
C21 C22 C23 120.2(2) . . ?
C22 C23 C18 121.1(2) . . ?
C29 C24 C25 118.03(19) . . ?
C29 C24 P2 123.75(16) . . ?
C25 C24 P2 118.12(15) . . ?
C26 C25 C24 121.1(2) . . ?
C27 C26 C25 119.9(2) . . ?
C28 C27 C26 119.8(2) . . ?
C27 C28 C29 120.5(2) . . ?
C24 C29 C28 120.6(2) . . ?
C35 C30 C31 118.5(2) . . ?
C35 C30 P2 123.17(16) . . ?
C31 C30 P2 118.24(16) . . ?
C32 C31 C30 121.1(2) . . ?
C33 C32 C31 119.6(2) . . ?
C34 C33 C32 120.3(2) . . ?
C33 C34 C35 120.3(2) . . ?
C30 C35 C34 120.2(2) . . ?
C37 C36 C40 108.7(2) . . ?
C37 C36 Ru 71.07(11) . . ?
C40 C36 Ru 72.31(11) . . ?
C36 C37 C38 107.57(19) . . ?
C36 C37 Ru 71.49(11) . . ?
C38 C37 Ru 72.40(11) . . ?
C39 C38 C37 107.61(19) . . ?
C39 C38 Ru 71.56(11) . . ?
C37 C38 Ru 69.95(11) . . ?
C38 C39 C40 109.00(19) . . ?
C38 C39 Ru 71.74(12) . . ?
C40 C39 Ru 71.43(11) . . ?
C36 C40 C39 107.14(19) . . ?
C36 C40 Ru 70.43(11) . . ?
C39 C40 Ru 71.44(11) . . ?

_refine_diff_density_max         0.489
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.074

####################################################################### 
# 
# 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_ic19517
_database_code_depnum_ccdc_archive 'CCDC 2191751'
loop_
_audit_author_name
_audit_author_address
'Gene-Hsiang Lee'
;Naitional Taiwan Normal University
Taiwan
;
_audit_update_record             
;
2022-07-21 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H36 Cl3 N3 P2 Ru'
_chemical_formula_weight         828.08

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.0659(2)
_cell_length_b                   37.8048(10)
_cell_length_c                   10.7826(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.1681(7)
_cell_angle_gamma                90
_cell_volume                     3666.69(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    23316
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      30.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_F_000             1688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.141
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.094
_exptl_absorpt_coefficient_mu    0.767
_shelx_estimated_absorpt_T_min   0.899
_shelx_estimated_absorpt_T_max   0.931
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5893
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28929
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.327
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8400
_reflns_number_gt                7771
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0073P)²+9.1224P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8400
_refine_ls_number_parameters     452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0518
_refine_ls_wR_factor_ref         0.0955
_refine_ls_wR_factor_gt          0.0938
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_restrained_S_all      1.231
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Ru Ru 0.20448(3) 0.10199(2) 0.24763(2) 0.01445(7) Uani 1 1 d . . . . .
P1 P 0.24307(9) 0.15725(2) 0.32754(7) 0.01676(16) Uani 1 1 d . . . . .
P2 P -0.03734(9) 0.11231(2) 0.27144(7) 0.01508(16) Uani 1 1 d . . . . .
N1 N 0.1909(3) 0.11001(7) -0.0347(3) 0.0250(6) Uani 1 1 d . . . . .
N2 N 0.1494(3) 0.12376(7) 0.0693(2) 0.0188(5) Uani 1 1 d . . . . .
N3 N 0.0671(3) 0.15294(7) 0.0478(2) 0.0191(5) Uani 1 1 d . . . . .
C1 C 0.1323(4) 0.13169(9) -0.1267(3) 0.0276(8) Uani 1 1 d . . . . .
H1 H 0.141871 0.128864 -0.212840 0.033 Uiso 1 1 calc R U . . .
C2 C 0.0558(4) 0.15871(9) -0.0765(3) 0.0210(7) Uani 1 1 d . . . . .
C3 C -0.0247(4) 0.18923(9) -0.1362(3) 0.0236(7) Uani 1 1 d . . . . .
C4 C 0.0117(4) 0.20242(10) -0.2491(3) 0.0323(8) Uani 1 1 d . . . . .
H4 H 0.088808 0.191504 -0.287453 0.039 Uiso 1 1 calc R U . . .
C5 C -0.0628(5) 0.23119(11) -0.3063(4) 0.0393(10) Uani 1 1 d . . . . .
H5 H -0.036325 0.239979 -0.383030 0.047 Uiso 1 1 calc R U . . .
C6 C -0.1753(5) 0.24707(10) -0.2516(4) 0.0394(10) Uani 1 1 d . . . . .
H6 H -0.227096 0.266666 -0.291354 0.047 Uiso 1 1 calc R U . . .
C7 C -0.2135(5) 0.23451(10) -0.1385(4) 0.0376(9) Uani 1 1 d . . . . .
H7 H -0.290670 0.245542 -0.100578 0.045 Uiso 1 1 calc R U . . .
C8 C -0.1375(4) 0.20568(9) -0.0815(3) 0.0297(8) Uani 1 1 d . . . . .
H8 H -0.163066 0.197122 -0.004127 0.036 Uiso 1 1 calc R U . . .
C9 C 0.0715(4) 0.17577(8) 0.3797(3) 0.0211(7) Uani 1 1 d . . . . .
H9A H 0.070376 0.170681 0.469666 0.025 Uiso 1 1 calc R U . . .
H9B H 0.070158 0.201760 0.368499 0.025 Uiso 1 1 calc R U . . .
C10 C -0.0667(3) 0.15954(8) 0.3041(3) 0.0185(6) Uani 1 1 d . . . . .
H10A H -0.089532 0.172504 0.224279 0.022 Uiso 1 1 calc R U . . .
H10B H -0.152857 0.162023 0.351552 0.022 Uiso 1 1 calc R U . . .
C11 C 0.3790(4) 0.15958(8) 0.4680(3) 0.0218(7) Uani 1 1 d . . . . .
C12 C 0.3418(4) 0.14698(9) 0.5819(3) 0.0265(7) Uani 1 1 d . . . . .
H12 H 0.244406 0.138270 0.586718 0.032 Uiso 1 1 calc R U . . .
C13 C 0.4454(5) 0.14706(10) 0.6880(4) 0.0359(9) Uani 1 1 d . . . . .
H13 H 0.417956 0.138866 0.765212 0.043 Uiso 1 1 calc R U . . .
C14 C 0.5886(5) 0.15901(11) 0.6819(4) 0.0431(11) Uani 1 1 d . . . . .
H14 H 0.659671 0.159055 0.754554 0.052 Uiso 1 1 calc R U . . .
C15 C 0.6269(4) 0.17079(10) 0.5701(4) 0.0404(10) Uani 1 1 d . . . . .
H15 H 0.725343 0.178860 0.565569 0.049 Uiso 1 1 calc R U . . .
C16 C 0.5237(4) 0.17113(9) 0.4628(4) 0.0296(8) Uani 1 1 d . . . . .
H16 H 0.552323 0.179277 0.385906 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3135(4) 0.19200(8) 0.2325(3) 0.0225(7) Uani 1 1 d . . . . .
C18 C 0.3067(4) 0.22771(9) 0.2629(4) 0.0377(9) Uani 1 1 d . . . . .
H18 H 0.258725 0.234910 0.332141 0.045 Uiso 1 1 calc R U . . .
C19 C 0.3704(5) 0.25285(11) 0.1917(5) 0.0523(13) Uani 1 1 d . . . . .
H19 H 0.365590 0.277216 0.212347 0.063 Uiso 1 1 calc R U . . .
C20 C 0.4407(5) 0.24244(13) 0.0908(5) 0.0542(13) Uani 1 1 d . . . . .
H20 H 0.483488 0.259694 0.042114 0.065 Uiso 1 1 calc R U . . .
C21 C 0.4488(5) 0.20720(12) 0.0610(4) 0.0462(11) Uani 1 1 d . . . . .
H21 H 0.497441 0.200057 -0.008015 0.055 Uiso 1 1 calc R U . . .
C22 C 0.3857(4) 0.18219(11) 0.1319(4) 0.0328(8) Uani 1 1 d . . . . .
H22 H 0.392107 0.157856 0.111217 0.039 Uiso 1 1 calc R U . . .
C23 C -0.1720(3) 0.10323(8) 0.1340(3) 0.0187(6) Uani 1 1 d . . . . .
C24 C -0.3054(4) 0.12144(10) 0.1090(3) 0.0268(7) Uani 1 1 d . . . . .
H24 H -0.330757 0.139207 0.164890 0.032 Uiso 1 1 calc R U . . .
C25 C -0.4019(4) 0.11360(11) 0.0016(3) 0.0325(8) Uani 1 1 d . . . . .
H25 H -0.492061 0.126464 -0.016264 0.039 Uiso 1 1 calc R U . . .
C26 C -0.3681(4) 0.08748(10) -0.0788(3) 0.0299(8) Uani 1 1 d . . . . .
H26 H -0.435261 0.082101 -0.151224 0.036 Uiso 1 1 calc R U . . .
C27 C -0.2369(4) 0.06916(10) -0.0541(3) 0.0292(8) Uani 1 1 d . . . . .
H27 H -0.213426 0.051071 -0.109626 0.035 Uiso 1 1 calc R U . . .
C28 C -0.1385(4) 0.07694(9) 0.0514(3) 0.0242(7) Uani 1 1 d . . . . .
H28 H -0.047619 0.064254 0.067490 0.029 Uiso 1 1 calc R U . . .
C29 C -0.1174(3) 0.08900(8) 0.3953(3) 0.0190(6) Uani 1 1 d . . . . .
C30 C -0.1127(5) 0.10313(10) 0.5149(3) 0.0373(9) Uani 1 1 d . . . . .
H30 H -0.067996 0.125588 0.532587 0.045 Uiso 1 1 calc R U . . .
C31 C -0.1722(6) 0.08495(11) 0.6085(4) 0.0482(12) Uani 1 1 d . . . . .
H31 H -0.168839 0.095112 0.689417 0.058 Uiso 1 1 calc R U . . .
C32 C -0.2361(5) 0.05220(11) 0.5848(4) 0.0375(9) Uani 1 1 d . . . . .
H32 H -0.276640 0.039750 0.649272 0.045 Uiso 1 1 calc R U . . .
C33 C -0.2412(4) 0.03756(10) 0.4673(4) 0.0338(9) Uani 1 1 d . . . . .
H33 H -0.285256 0.014982 0.450525 0.041 Uiso 1 1 calc R U . . .
C34 C -0.1815(4) 0.05592(9) 0.3728(3) 0.0283(8) Uani 1 1 d . . . . .
H34 H -0.184822 0.045640 0.292105 0.034 Uiso 1 1 calc R U . . .
C35 C 0.2448(4) 0.04490(9) 0.2120(4) 0.0315(8) Uani 1 1 d . . . . .
H35 H 0.184321 0.029430 0.149815 0.038 Uiso 1 1 calc R U . . .
C36 C 0.2226(4) 0.05002(9) 0.3397(4) 0.0336(9) Uani 1 1 d . . . . .
H36 H 0.144525 0.038402 0.383527 0.040 Uiso 1 1 calc R U . . .
C37 C 0.3393(4) 0.07191(9) 0.3959(3) 0.0308(8) Uani 1 1 d . . . . .
H37 H 0.357530 0.078559 0.486315 0.037 Uiso 1 1 calc R U . . .
C38 C 0.4326(4) 0.08029(9) 0.3038(4) 0.0312(8) Uani 1 1 d . . . . .
H38 H 0.526402 0.094422 0.317636 0.037 Uiso 1 1 calc R U . . .
C39 C 0.3745(4) 0.06425(9) 0.1921(4) 0.0302(8) Uani 1 1 d . . . . .
H39 H 0.419641 0.065090 0.112149 0.036 Uiso 1 1 calc R U . . .
C40 C 0.2392(5) 0.03809(10) 0.8356(4) 0.0404(10) Uani 1 1 d . . . . .
H40 H 0.255554 0.058198 0.895976 0.049 Uiso 0.922(2) 1 calc R U P A 1
H40' H 0.260687 0.059498 0.889257 0.049 Uiso 0.078(2) 1 calc R U P A 2
Cl1 Cl 0.07495(19) 0.01640(4) 0.86067(16) 0.0615(4) Uani 0.922(2) 1 d . . P A 1
Cl2 Cl 0.38782(17) 0.00876(4) 0.8651(2) 0.0786(6) Uani 0.922(2) 1 d . . P A 1
Cl3 Cl 0.2270(3) 0.05492(4) 0.68579(13) 0.0864(7) Uani 0.922(2) 1 d . . P A 1
Cl1' Cl 0.127(2) 0.0487(5) 0.691(2) 0.0615(4) Uani 0.078(2) 1 d . . P A 2
Cl2' Cl 0.161(2) 0.0094(5) 0.903(2) 0.0786(6) Uani 0.078(2) 1 d . . P A 2
Cl3' Cl 0.405(3) 0.0214(5) 0.7781(16) 0.0864(7) Uani 0.078(2) 1 d . . 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
Ru N2 2.094(3) . ?
Ru C36 2.198(3) . ?
Ru C37 2.204(3) . ?
Ru C35 2.231(3) . ?
Ru C39 2.236(3) . ?
Ru C38 2.237(3) . ?
Ru P1 2.2702(8) . ?
Ru P2 2.2726(8) . ?
P1 C17 1.829(3) . ?
P1 C11 1.832(3) . ?
P1 C9 1.856(3) . ?
P2 C29 1.825(3) . ?
P2 C23 1.831(3) . ?
P2 C10 1.846(3) . ?
N1 N2 1.332(4) . ?
N1 C1 1.344(4) . ?
N2 N3 1.335(4) . ?
N3 C2 1.349(4) . ?
C1 C2 1.382(5) . ?
C2 C3 1.470(5) . ?
C3 C8 1.390(5) . ?
C3 C4 1.393(5) . ?
C4 C5 1.384(5) . ?
C5 C6 1.378(6) . ?
C6 C7 1.392(6) . ?
C7 C8 1.391(5) . ?
C9 C10 1.535(4) . ?
C11 C16 1.390(5) . ?
C11 C12 1.397(5) . ?
C12 C13 1.386(5) . ?
C13 C14 1.384(6) . ?
C14 C15 1.370(6) . ?
C15 C16 1.394(5) . ?
C17 C22 1.386(5) . ?
C17 C18 1.392(5) . ?
C18 C19 1.391(6) . ?
C19 C20 1.385(7) . ?
C20 C21 1.375(7) . ?
C21 C22 1.384(5) . ?
C23 C24 1.388(5) . ?
C23 C28 1.393(5) . ?
C24 C25 1.394(5) . ?
C25 C26 1.373(5) . ?
C26 C27 1.374(5) . ?
C27 C28 1.388(5) . ?
C29 C34 1.388(5) . ?
C29 C30 1.391(5) . ?
C30 C31 1.385(5) . ?
C31 C32 1.378(6) . ?
C32 C33 1.379(5) . ?
C33 C34 1.396(5) . ?
C35 C39 1.424(5) . ?
C35 C36 1.430(5) . ?
C36 C37 1.419(6) . ?
C37 C38 1.418(5) . ?
C38 C39 1.392(5) . ?
C40 Cl2' 1.53(2) . ?
C40 Cl3 1.727(4) . ?
C40 Cl2 1.744(5) . ?
C40 Cl1 1.750(4) . ?
C40 Cl1' 1.80(2) . ?
C40 Cl3' 1.81(2) . ?

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
N2 Ru C36 139.62(13) . . ?
N2 Ru C37 156.38(12) . . ?
C36 Ru C37 37.60(14) . . ?
N2 Ru C35 104.32(12) . . ?
C36 Ru C35 37.66(14) . . ?
C37 Ru C35 62.47(14) . . ?
N2 Ru C39 95.64(12) . . ?
C36 Ru C39 62.33(14) . . ?
C37 Ru C39 61.74(14) . . ?
C35 Ru C39 37.17(14) . . ?
N2 Ru C38 119.95(13) . . ?
C36 Ru C38 62.32(14) . . ?
C37 Ru C38 37.24(14) . . ?
C35 Ru C38 61.70(14) . . ?
C39 Ru C38 36.26(14) . . ?
N2 Ru P1 89.70(7) . . ?
C36 Ru P1 130.68(11) . . ?
C37 Ru P1 98.87(10) . . ?
C35 Ru P1 159.24(10) . . ?
C39 Ru P1 127.60(10) . . ?
C38 Ru P1 98.13(10) . . ?
N2 Ru P2 85.03(8) . . ?
C36 Ru P2 96.95(10) . . ?
C37 Ru P2 117.53(11) . . ?
C35 Ru P2 111.51(10) . . ?
C39 Ru P2 147.84(10) . . ?
C38 Ru P2 154.77(10) . . ?
P1 Ru P2 84.51(3) . . ?
C17 P1 C11 100.55(15) . . ?
C17 P1 C9 105.26(15) . . ?
C11 P1 C9 103.54(15) . . ?
C17 P1 Ru 119.75(11) . . ?
C11 P1 Ru 114.45(10) . . ?
C9 P1 Ru 111.52(11) . . ?
C29 P2 C23 102.47(14) . . ?
C29 P2 C10 104.31(14) . . ?
C23 P2 C10 103.80(14) . . ?
C29 P2 Ru 118.51(10) . . ?
C23 P2 Ru 115.57(10) . . ?
C10 P2 Ru 110.59(10) . . ?
N2 N1 C1 104.8(3) . . ?
N1 N2 N3 112.7(2) . . ?
N1 N2 Ru 124.0(2) . . ?
N3 N2 Ru 123.2(2) . . ?
N2 N3 C2 106.1(3) . . ?
N1 C1 C2 109.5(3) . . ?
N3 C2 C1 106.8(3) . . ?
N3 C2 C3 122.3(3) . . ?
C1 C2 C3 130.9(3) . . ?
C8 C3 C4 118.5(3) . . ?
C8 C3 C2 121.1(3) . . ?
C4 C3 C2 120.3(3) . . ?
C5 C4 C3 121.0(4) . . ?
C6 C5 C4 119.9(4) . . ?
C5 C6 C7 120.3(4) . . ?
C8 C7 C6 119.4(4) . . ?
C3 C8 C7 120.9(4) . . ?
C10 C9 P1 110.4(2) . . ?
C9 C10 P2 111.1(2) . . ?
C16 C11 C12 118.4(3) . . ?
C16 C11 P1 121.5(3) . . ?
C12 C11 P1 119.9(3) . . ?
C13 C12 C11 120.8(4) . . ?
C14 C13 C12 120.3(4) . . ?
C15 C14 C13 119.3(4) . . ?
C14 C15 C16 121.1(4) . . ?
C11 C16 C15 120.1(4) . . ?
C22 C17 C18 118.8(3) . . ?
C22 C17 P1 118.6(3) . . ?
C18 C17 P1 122.4(3) . . ?
C19 C18 C17 119.9(4) . . ?
C20 C19 C18 120.2(4) . . ?
C21 C20 C19 120.2(4) . . ?
C20 C21 C22 119.7(4) . . ?
C21 C22 C17 121.2(4) . . ?
C24 C23 C28 118.9(3) . . ?
C24 C23 P2 122.8(3) . . ?
C28 C23 P2 118.3(2) . . ?
C23 C24 C25 119.9(3) . . ?
C26 C25 C24 120.7(3) . . ?
C25 C26 C27 119.7(3) . . ?
C26 C27 C28 120.3(3) . . ?
C27 C28 C23 120.4(3) . . ?
C34 C29 C30 118.2(3) . . ?
C34 C29 P2 120.2(2) . . ?
C30 C29 P2 121.6(3) . . ?
C31 C30 C29 121.0(4) . . ?
C32 C31 C30 120.3(4) . . ?
C31 C32 C33 119.7(3) . . ?
C32 C33 C34 120.0(4) . . ?
C29 C34 C33 120.8(3) . . ?
C39 C35 C36 107.1(3) . . ?
C39 C35 Ru 71.62(19) . . ?
C36 C35 Ru 69.95(19) . . ?
C37 C36 C35 107.7(3) . . ?
C37 C36 Ru 71.4(2) . . ?
C35 C36 Ru 72.4(2) . . ?
C38 C37 C36 108.0(3) . . ?
C38 C37 Ru 72.6(2) . . ?
C36 C37 Ru 71.0(2) . . ?
C39 C38 C37 108.3(3) . . ?
C39 C38 Ru 71.8(2) . . ?
C37 C38 Ru 70.1(2) . . ?
C38 C39 C35 108.9(3) . . ?
C38 C39 Ru 71.9(2) . . ?
C35 C39 Ru 71.2(2) . . ?
Cl3 C40 Cl2 111.3(3) . . ?
Cl3 C40 Cl1 111.2(3) . . ?
Cl2 C40 Cl1 109.1(2) . . ?
Cl2' C40 Cl1' 109.0(10) . . ?
Cl2' C40 Cl3' 111.6(10) . . ?
Cl1' C40 Cl3' 100.7(9) . . ?

_refine_diff_density_max         0.709
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.088

