# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_m2195
_database_code_depnum_ccdc_archive 'CCDC 1957818'
loop_
_audit_author_name
_audit_author_address
'Yael Diskin Posner'
;Weizmann Institute of Science
Israel
;
_audit_update_record             
;
2019-10-07 deposited with the CCDC.	2020-06-22 downloaded from the CCDC.
;
# Yael Diskin-Posner 
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H39 N2 O3 P Ru'
_chemical_formula_sum            'C25 H39 N2 O3 P Ru'
_chemical_formula_weight         547.62

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           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                   9.5765(2)
_cell_length_b                   12.9092(3)
_cell_length_c                   21.0501(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.084(2)
_cell_angle_gamma                90
_cell_volume                     2562.12(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    53513
_cell_measurement_theta_min      1.8200
_cell_measurement_theta_max      34.9710

_exptl_crystal_description       prism
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_F_000             1144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.374
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.061
_exptl_absorpt_coefficient_mu    0.702
_shelx_estimated_absorpt_T_min   0.779
_shelx_estimated_absorpt_T_max   0.958
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 300K'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            97956
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.859
_diffrn_reflns_theta_max         35.017
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.925
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.925
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10440
_reflns_number_gt                9135
_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       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_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)+(0.0222P)²+4.6792P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10440
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0858
_refine_ls_wR_factor_gt          0.0840
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_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
Ru1 Ru 0.56154(2) 0.67717(2) 0.37442(2) 0.01109(4) Uani 1 1 d . . . . .
H H 0.590(3) 0.790(2) 0.3506(13) 0.024(7) Uiso 1 1 d . . . . .
P1 P 0.73089(5) 0.61781(3) 0.31971(2) 0.01247(8) Uani 1 1 d . . . . .
O1 O 0.31143(16) 0.66800(14) 0.26716(7) 0.0271(3) Uani 1 1 d . . . . .
O2 O 0.53454(13) 0.53270(10) 0.42547(6) 0.0147(2) Uani 1 1 d . . . . .
O3 O 0.29643(14) 0.56815(11) 0.49178(7) 0.0173(2) Uani 1 1 d . . . . .
H3 H 0.3472 0.5283 0.5177 0.026 Uiso 1 1 calc R U . . .
N1 N 0.73815(16) 0.68905(12) 0.44928(7) 0.0141(3) Uani 1 1 d . . . . .
N2 N 0.46863(15) 0.74271(12) 0.45377(7) 0.0133(2) Uani 1 1 d . . . . .
H2 H 0.4494 0.6828 0.4811 0.016 Uiso 1 1 calc R U . . .
C1 C 0.86205(18) 0.57075(14) 0.38967(9) 0.0154(3) Uani 1 1 d . . . . .
H1A H 0.8391 0.4985 0.3998 0.019 Uiso 1 1 calc R U . . .
H1B H 0.9581 0.5713 0.3783 0.019 Uiso 1 1 calc R U . . .
C2 C 0.86080(18) 0.63788(14) 0.44792(9) 0.0146(3) Uani 1 1 d . . . . .
C3 C 0.97509(19) 0.64790(16) 0.49846(9) 0.0186(3) Uani 1 1 d . . . . .
H3A H 1.0622 0.6136 0.4970 0.022 Uiso 1 1 calc R U . . .
C4 C 0.9594(2) 0.70911(17) 0.55112(10) 0.0210(4) Uani 1 1 d . . . . .
H4 H 1.0361 0.7166 0.5861 0.025 Uiso 1 1 calc R U . . .
C5 C 0.8316(2) 0.75934(16) 0.55259(9) 0.0192(3) Uani 1 1 d . . . . .
H5 H 0.8190 0.8000 0.5888 0.023 Uiso 1 1 calc R U . . .
C6 C 0.72275(19) 0.74867(14) 0.49999(9) 0.0157(3) Uani 1 1 d . . . . .
C7 C 0.58348(19) 0.80392(14) 0.49353(9) 0.0171(3) Uani 1 1 d . . . . .
H7A H 0.5598 0.8156 0.5369 0.020 Uiso 1 1 calc R U . . .
H7B H 0.5910 0.8723 0.4732 0.020 Uiso 1 1 calc R U . . .
C8 C 0.8338(2) 0.71773(15) 0.28118(10) 0.0179(3) Uani 1 1 d . . . . .
C9 C 0.9028(2) 0.79198(16) 0.33486(11) 0.0227(4) Uani 1 1 d . . . . .
H9A H 0.8303 0.8181 0.3584 0.034 Uiso 1 1 calc R U . . .
H9B H 0.9462 0.8502 0.3156 0.034 Uiso 1 1 calc R U . . .
H9C H 0.9759 0.7549 0.3647 0.034 Uiso 1 1 calc R U . . .
C10 C 0.9524(2) 0.67293(17) 0.24865(11) 0.0230(4) Uani 1 1 d . . . . .
H10A H 1.0157 0.6302 0.2797 0.034 Uiso 1 1 calc R U . . .
H10B H 1.0066 0.7297 0.2339 0.034 Uiso 1 1 calc R U . . .
H10C H 0.9105 0.6303 0.2117 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7321(2) 0.78177(18) 0.23195(11) 0.0263(4) Uani 1 1 d . . . . .
H11A H 0.6868 0.7366 0.1969 0.039 Uiso 1 1 calc R U . . .
H11B H 0.7853 0.8364 0.2143 0.039 Uiso 1 1 calc R U . . .
H11C H 0.6593 0.8132 0.2532 0.039 Uiso 1 1 calc R U . . .
C12 C 0.7004(2) 0.49982(15) 0.26631(10) 0.0182(3) Uani 1 1 d . . . . .
C13 C 0.8341(2) 0.43568(16) 0.26271(11) 0.0243(4) Uani 1 1 d . . . . .
H13A H 0.9003 0.4772 0.2427 0.036 Uiso 1 1 calc R U . . .
H13B H 0.8076 0.3734 0.2368 0.036 Uiso 1 1 calc R U . . .
H13C H 0.8795 0.4155 0.3063 0.036 Uiso 1 1 calc R U . . .
C14 C 0.6263(2) 0.5305(2) 0.19796(11) 0.0284(4) Uani 1 1 d . . . . .
H14A H 0.5515 0.5811 0.2010 0.043 Uiso 1 1 calc R U . . .
H14B H 0.5844 0.4689 0.1750 0.043 Uiso 1 1 calc R U . . .
H14C H 0.6958 0.5611 0.1744 0.043 Uiso 1 1 calc R U . . .
C15 C 0.5977(2) 0.43016(17) 0.29510(12) 0.0259(4) Uani 1 1 d . . . . .
H15A H 0.6367 0.4161 0.3405 0.039 Uiso 1 1 calc R U . . .
H15B H 0.5849 0.3647 0.2712 0.039 Uiso 1 1 calc R U . . .
H15C H 0.5060 0.4652 0.2920 0.039 Uiso 1 1 calc R U . . .
C16 C 0.33487(19) 0.80278(14) 0.43973(9) 0.0166(3) Uani 1 1 d . . . . .
H16A H 0.2591 0.7569 0.4173 0.020 Uiso 1 1 calc R U . . .
H16B H 0.3475 0.8598 0.4098 0.020 Uiso 1 1 calc R U . . .
C17 C 0.28615(19) 0.84871(14) 0.49860(9) 0.0165(3) Uani 1 1 d . . . . .
C18 C 0.2190(2) 0.94480(16) 0.49423(11) 0.0230(4) Uani 1 1 d . . . . .
H18 H 0.2034 0.9807 0.4542 0.028 Uiso 1 1 calc R U . . .
C19 C 0.1743(3) 0.98924(18) 0.54783(12) 0.0291(5) Uani 1 1 d . . . . .
H19 H 0.1263 1.0539 0.5439 0.035 Uiso 1 1 calc R U . . .
C20 C 0.2003(3) 0.93848(18) 0.60687(12) 0.0287(5) Uani 1 1 d . . . . .
H20 H 0.1732 0.9695 0.6438 0.034 Uiso 1 1 calc R U . . .
C21 C 0.2658(2) 0.84236(17) 0.61177(10) 0.0241(4) Uani 1 1 d . . . . .
H21 H 0.2826 0.8071 0.6520 0.029 Uiso 1 1 calc R U . . .
C22 C 0.3071(2) 0.79731(16) 0.55782(10) 0.0198(3) Uani 1 1 d . . . . .
H22 H 0.3500 0.7307 0.5614 0.024 Uiso 1 1 calc R U . . .
C23 C 0.40949(19) 0.67116(15) 0.30849(9) 0.0165(3) Uani 1 1 d . . . . .
C24 C 0.41130(19) 0.47291(14) 0.41337(9) 0.0158(3) Uani 1 1 d . . . . .
H24A H 0.4274 0.4085 0.4392 0.019 Uiso 1 1 calc R U . . .
H24B H 0.3935 0.4528 0.3673 0.019 Uiso 1 1 calc R U . . .
C25 C 0.27921(19) 0.52614(15) 0.42862(9) 0.0167(3) Uani 1 1 d . . . . .
H25A H 0.2519 0.5826 0.3970 0.020 Uiso 1 1 calc R U . . .
H25B H 0.2005 0.4754 0.4232 0.020 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C23 1.8288(19) . ?
Ru1 N1 2.1057(15) . ?
Ru1 O2 2.1903(13) . ?
Ru1 N2 2.1949(15) . ?
Ru1 P1 2.2799(4) . ?
Ru1 H 1.58(3) . ?
P1 C1 1.8622(18) . ?
P1 C12 1.8853(19) . ?
P1 C8 1.8899(19) . ?
O1 C23 1.164(2) . ?
O2 C24 1.396(2) . ?
O3 C25 1.419(2) . ?
O3 H3 0.8400 . ?
N1 C6 1.345(2) . ?
N1 C2 1.352(2) . ?
N2 C16 1.482(2) . ?
N2 C7 1.487(2) . ?
N2 H2 1.0000 . ?
C1 C2 1.503(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.392(3) . ?
C3 C4 1.391(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.390(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.498(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C11 1.533(3) . ?
C8 C10 1.538(3) . ?
C8 C9 1.540(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C15 1.534(3) . ?
C12 C13 1.537(3) . ?
C12 C14 1.541(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.519(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.393(3) . ?
C17 C22 1.395(3) . ?
C18 C19 1.398(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C24 C25 1.522(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?

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
C23 Ru1 N1 178.10(7) . . ?
C23 Ru1 O2 100.92(7) . . ?
N1 Ru1 O2 80.98(5) . . ?
C23 Ru1 N2 102.64(7) . . ?
N1 Ru1 N2 77.40(6) . . ?
O2 Ru1 N2 81.75(5) . . ?
C23 Ru1 P1 98.32(6) . . ?
N1 Ru1 P1 81.57(4) . . ?
O2 Ru1 P1 96.73(4) . . ?
N2 Ru1 P1 158.90(4) . . ?
C23 Ru1 H 87.6(10) . . ?
N1 Ru1 H 90.5(10) . . ?
O2 Ru1 H 169.4(10) . . ?
N2 Ru1 H 90.2(10) . . ?
P1 Ru1 H 88.2(10) . . ?
C1 P1 C12 102.73(9) . . ?
C1 P1 C8 103.41(9) . . ?
C12 P1 C8 109.48(9) . . ?
C1 P1 Ru1 98.69(6) . . ?
C12 P1 Ru1 121.55(6) . . ?
C8 P1 Ru1 117.24(6) . . ?
C24 O2 Ru1 123.37(11) . . ?
C25 O3 H3 109.5 . . ?
C6 N1 C2 120.85(16) . . ?
C6 N1 Ru1 116.76(12) . . ?
C2 N1 Ru1 122.37(12) . . ?
C16 N2 C7 111.25(14) . . ?
C16 N2 Ru1 120.09(11) . . ?
C7 N2 Ru1 105.94(10) . . ?
C16 N2 H2 106.2 . . ?
C7 N2 H2 106.2 . . ?
Ru1 N2 H2 106.2 . . ?
C2 C1 P1 110.88(12) . . ?
C2 C1 H1A 109.5 . . ?
P1 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
N1 C2 C3 120.52(17) . . ?
N1 C2 C1 115.46(15) . . ?
C3 C2 C1 124.01(16) . . ?
C4 C3 C2 118.78(17) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C5 C4 C3 120.08(18) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 118.48(18) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
N1 C6 C5 121.23(17) . . ?
N1 C6 C7 114.85(16) . . ?
C5 C6 C7 123.88(17) . . ?
N2 C7 C6 110.93(14) . . ?
N2 C7 H7A 109.5 . . ?
C6 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 108.0 . . ?
C11 C8 C10 109.44(16) . . ?
C11 C8 C9 107.49(17) . . ?
C10 C8 C9 107.74(16) . . ?
C11 C8 P1 109.94(14) . . ?
C10 C8 P1 114.55(14) . . ?
C9 C8 P1 107.40(13) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C12 C13 107.50(17) . . ?
C15 C12 C14 107.30(18) . . ?
C13 C12 C14 110.14(17) . . ?
C15 C12 P1 106.32(13) . . ?
C13 C12 P1 114.92(14) . . ?
C14 C12 P1 110.29(14) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 114.82(15) . . ?
N2 C16 H16A 108.6 . . ?
C17 C16 H16A 108.6 . . ?
N2 C16 H16B 108.6 . . ?
C17 C16 H16B 108.6 . . ?
H16A C16 H16B 107.5 . . ?
C18 C17 C22 118.36(18) . . ?
C18 C17 C16 119.86(18) . . ?
C22 C17 C16 121.78(16) . . ?
C17 C18 C19 121.0(2) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C20 C19 C18 119.8(2) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C21 C20 C19 119.8(2) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C22 120.2(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 120.85(19) . . ?
C21 C22 H22 119.6 . . ?
C17 C22 H22 119.6 . . ?
O1 C23 Ru1 178.95(17) . . ?
O2 C24 C25 114.78(15) . . ?
O2 C24 H24A 108.6 . . ?
C25 C24 H24A 108.6 . . ?
O2 C24 H24B 108.6 . . ?
C25 C24 H24B 108.6 . . ?
H24A C24 H24B 107.5 . . ?
O3 C25 C24 113.93(15) . . ?
O3 C25 H25A 108.8 . . ?
C24 C25 H25A 108.8 . . ?
O3 C25 H25B 108.8 . . ?
C24 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?

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
C12 P1 C1 C2 -159.05(13) . . . . ?
C8 P1 C1 C2 87.04(14) . . . . ?
Ru1 P1 C1 C2 -33.79(13) . . . . ?
C6 N1 C2 C3 -1.5(3) . . . . ?
Ru1 N1 C2 C3 180.00(13) . . . . ?
C6 N1 C2 C1 177.72(16) . . . . ?
Ru1 N1 C2 C1 -0.7(2) . . . . ?
P1 C1 C2 N1 25.1(2) . . . . ?
P1 C1 C2 C3 -155.67(15) . . . . ?
N1 C2 C3 C4 1.8(3) . . . . ?
C1 C2 C3 C4 -177.40(18) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C3 C4 C5 C6 -1.5(3) . . . . ?
C2 N1 C6 C5 -0.3(3) . . . . ?
Ru1 N1 C6 C5 178.27(14) . . . . ?
C2 N1 C6 C7 177.61(16) . . . . ?
Ru1 N1 C6 C7 -3.8(2) . . . . ?
C4 C5 C6 N1 1.8(3) . . . . ?
C4 C5 C6 C7 -175.91(18) . . . . ?
C16 N2 C7 C6 -172.32(15) . . . . ?
Ru1 N2 C7 C6 -40.22(17) . . . . ?
N1 C6 C7 N2 30.8(2) . . . . ?
C5 C6 C7 N2 -151.34(18) . . . . ?
C1 P1 C8 C11 -167.18(14) . . . . ?
C12 P1 C8 C11 83.87(16) . . . . ?
Ru1 P1 C8 C11 -59.87(16) . . . . ?
C1 P1 C8 C10 69.10(16) . . . . ?
C12 P1 C8 C10 -39.84(17) . . . . ?
Ru1 P1 C8 C10 176.41(12) . . . . ?
C1 P1 C8 C9 -50.52(14) . . . . ?
C12 P1 C8 C9 -159.47(13) . . . . ?
Ru1 P1 C8 C9 56.79(14) . . . . ?
C1 P1 C12 C15 79.20(15) . . . . ?
C8 P1 C12 C15 -171.40(14) . . . . ?
Ru1 P1 C12 C15 -29.50(17) . . . . ?
C1 P1 C12 C13 -39.58(17) . . . . ?
C8 P1 C12 C13 69.82(17) . . . . ?
Ru1 P1 C12 C13 -148.28(13) . . . . ?
C1 P1 C12 C14 -164.78(14) . . . . ?
C8 P1 C12 C14 -55.38(16) . . . . ?
Ru1 P1 C12 C14 86.52(14) . . . . ?
C7 N2 C16 C17 -52.4(2) . . . . ?
Ru1 N2 C16 C17 -176.87(12) . . . . ?
N2 C16 C17 C18 144.77(18) . . . . ?
N2 C16 C17 C22 -35.0(2) . . . . ?
C22 C17 C18 C19 0.4(3) . . . . ?
C16 C17 C18 C19 -179.4(2) . . . . ?
C17 C18 C19 C20 1.7(3) . . . . ?
C18 C19 C20 C21 -2.3(3) . . . . ?
C19 C20 C21 C22 0.8(3) . . . . ?
C20 C21 C22 C17 1.4(3) . . . . ?
C18 C17 C22 C21 -2.0(3) . . . . ?
C16 C17 C22 C21 177.84(18) . . . . ?
Ru1 O2 C24 C25 -63.56(19) . . . . ?
O2 C24 C25 O3 -52.2(2) . . . . ?

_refine_diff_density_max         1.526
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.103

