# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_396_auto
_database_code_depnum_ccdc_archive 'CCDC 2209334'
loop_
_audit_author_name
_audit_author_address
'Kinga Wzgarda-Raj'
;University of Lodz
Poland
;
_audit_update_record             
;
2022-09-25 deposited with the CCDC.	2023-02-16 downloaded from the CCDC.
;
_audit_creation_date             2022-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H22 N O3 P Ru'
_chemical_formula_sum            'C28 H22 N O3 P Ru'
_chemical_formula_weight         552.50
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   9.54190(10)
_cell_length_b                   14.7114(2)
_cell_length_c                   16.7725(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2354.44(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    27928
_cell_measurement_temperature    100(2)
_cell_measurement_theta_min      2.7600
_cell_measurement_theta_max      31.1100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_min  0.94357
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.119a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.263
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.074
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36824
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.861
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.724
_diffrn_reflns_theta_min         2.429
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.686
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.793
_reflns_number_gt                6129
_reflns_number_total             6306
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.367
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 
;
 Flack x determined using 2465 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         6306
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0203
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0162P)²+1.0534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0443
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C36(H36), C11(H11), C32(H32), C22(H22), C12(H12), C25(H25),
 C14(H14), C26(H26), C42(H42), C34(H34), C4(H4), C3(H3), C24(H24), C13(H13),
 C45(H45), C35(H35), C23(H23), C33(H33), C46(H46), C43(H43), C44(H44)
;
_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 0.39457(2) 0.33052(2) 0.37893(2) 0.01080(4) Uani 1 1 d . . . . .
P1 P 0.40166(6) 0.39001(3) 0.25151(3) 0.00985(10) Uani 1 1 d . . . . .
O5 O 0.04716(17) 0.34556(11) 0.34996(10) 0.0185(3) Uani 1 1 d . . . . .
O20 O 0.63106(19) 0.45101(13) 0.43408(11) 0.0256(4) Uani 1 1 d . . . . .
O2 O 0.34858(18) 0.53114(11) 0.48413(10) 0.0212(4) Uani 1 1 d . . . . .
N1 N 0.2326(2) 0.41944(13) 0.41122(12) 0.0134(4) Uani 1 1 d . . . . .
C5 C 0.0953(3) 0.40910(14) 0.38831(12) 0.0147(4) Uani 1 1 d . . . . .
C15 C 0.4072(3) 0.21807(15) 0.47048(13) 0.0201(5) Uani 1 1 d . . . . .
H15 H 0.423628 0.228183 0.525636 0.024 Uiso 1 1 calc R U . . .
C36 C 0.6973(2) 0.38542(15) 0.24359(14) 0.0159(4) Uani 1 1 d . . . . .
H36 H 0.694313 0.352630 0.292353 0.019 Uiso 1 1 calc R U . . .
C31 C 0.5738(2) 0.41874(14) 0.21059(13) 0.0116(4) Uani 1 1 d . . . . .
C11 C 0.5117(3) 0.20532(17) 0.40964(16) 0.0216(5) Uani 1 1 d . . . . .
H11 H 0.610276 0.205771 0.417508 0.026 Uiso 1 1 calc R U . . .
C32 C 0.5807(2) 0.46807(14) 0.13921(12) 0.0139(4) Uani 1 1 d . . . . .
H32 H 0.497539 0.492962 0.116971 0.017 Uiso 1 1 calc R U . . .
C21 C 0.3023(2) 0.49476(14) 0.23387(12) 0.0116(4) Uani 1 1 d . . . . .
C22 C 0.3209(2) 0.56627(15) 0.28798(13) 0.0139(4) Uani 1 1 d . . . . .
H22 H 0.384483 0.559586 0.331177 0.017 Uiso 1 1 calc R U . . .
C12 C 0.4421(3) 0.19199(15) 0.33606(15) 0.0198(5) Uani 1 1 d . . . . .
H12 H 0.485892 0.181776 0.285980 0.024 Uiso 1 1 calc R U . . .
C2 C 0.2427(3) 0.49950(16) 0.45478(13) 0.0163(4) Uani 1 1 d . . . . .
C25 C 0.1408(2) 0.58883(16) 0.15914(16) 0.0200(5) Uani 1 1 d . . . . .
H25 H 0.080925 0.597027 0.114478 0.024 Uiso 1 1 calc R U . . .
C14 C 0.2750(3) 0.21263(16) 0.43217(15) 0.0188(5) Uani 1 1 d . . . . .
H14 H 0.186874 0.218867 0.457913 0.023 Uiso 1 1 calc R U . . .
C26 C 0.2123(2) 0.50700(16) 0.16869(14) 0.0164(4) Uani 1 1 d . . . . .
H26 H 0.200004 0.459451 0.131007 0.020 Uiso 1 1 calc R U . . .
C42 C 0.4261(2) 0.26763(14) 0.12153(15) 0.0165(4) Uani 1 1 d . . . . .
H42 H 0.523368 0.281497 0.121975 0.020 Uiso 1 1 calc R U . . .
C41 C 0.3367(2) 0.31028(14) 0.17590(13) 0.0124(4) Uani 1 1 d . . . . .
C34 C 0.8302(2) 0.44631(15) 0.13327(15) 0.0185(5) Uani 1 1 d . . . . .
H34 H 0.916989 0.454250 0.106427 0.022 Uiso 1 1 calc R U . . .
C4 C 0.0116(3) 0.48892(17) 0.41861(15) 0.0214(5) Uani 1 1 d . . . . .
H4 H -0.085673 0.499105 0.410555 0.026 Uiso 1 1 calc R U . . .
C3 C 0.0985(3) 0.54205(15) 0.45841(14) 0.0210(5) Uani 1 1 d . . . . .
H3 H 0.074733 0.597170 0.484633 0.025 Uiso 1 1 calc R U . . .
C24 C 0.1563(2) 0.65861(16) 0.21428(15) 0.0196(5) Uani 1 1 d . . . . .
H24 H 0.105574 0.713727 0.208072 0.024 Uiso 1 1 calc R U . . .
C13 C 0.2944(3) 0.19657(15) 0.35017(15) 0.0186(5) Uani 1 1 d . . . . .
H13 H 0.222558 0.189978 0.311355 0.022 Uiso 1 1 calc R U . . .
C45 C 0.1419(2) 0.22698(16) 0.11913(16) 0.0225(5) Uani 1 1 d . . . . .
H45 H 0.044575 0.213327 0.118125 0.027 Uiso 1 1 calc R U . . .
C35 C 0.8252(3) 0.39977(17) 0.20566(15) 0.0209(5) Uani 1 1 d . . . . .
H35 H 0.909273 0.377827 0.229141 0.025 Uiso 1 1 calc R U . . .
C23 C 0.2467(3) 0.64715(15) 0.27876(15) 0.0176(5) Uani 1 1 d . . . . .
H23 H 0.257802 0.694679 0.316583 0.021 Uiso 1 1 calc R U . . .
C33 C 0.7080(2) 0.48085(15) 0.10076(13) 0.0157(4) Uani 1 1 d . . . . .
H33 H 0.711295 0.513459 0.051906 0.019 Uiso 1 1 calc R U . . .
C20 C 0.5347(3) 0.41009(17) 0.41341(14) 0.0168(5) Uani 1 1 d . . . . .
C46 C 0.1940(2) 0.28818(16) 0.17497(14) 0.0164(4) Uani 1 1 d . . . . .
H46 H 0.132367 0.315125 0.212674 0.020 Uiso 1 1 calc R U . . .
C43 C 0.3742(3) 0.20502(16) 0.06672(14) 0.0220(5) Uani 1 1 d . . . . .
H43 H 0.436063 0.175510 0.030679 0.026 Uiso 1 1 calc R U . . .
C44 C 0.2315(3) 0.18577(17) 0.06485(15) 0.0253(6) Uani 1 1 d . . . . .
H44 H 0.195411 0.144455 0.026466 0.030 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.3104(5) . ?
Ru1 N1 2.0962(19) . ?
Ru1 C15 2.260(2) . ?
Ru1 C11 2.215(2) . ?
Ru1 C12 2.208(2) . ?
Ru1 C14 2.260(2) . ?
Ru1 C13 2.243(2) . ?
Ru1 C20 1.869(3) . ?
P1 C31 1.830(2) . ?
P1 C21 1.833(2) . ?
P1 C41 1.835(2) . ?
O5 C5 1.224(3) . ?
O20 C20 1.152(3) . ?
O2 C2 1.216(3) . ?
N1 C5 1.374(3) . ?
N1 C2 1.389(3) . ?
C5 C4 1.508(3) . ?
C15 H15 0.9500 . ?
C15 C11 1.439(4) . ?
C15 C14 1.418(4) . ?
C36 H36 0.9500 . ?
C36 C31 1.391(3) . ?
C36 C35 1.393(3) . ?
C31 C32 1.401(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.415(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(3) . ?
C21 C22 1.401(3) . ?
C21 C26 1.402(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.431(4) . ?
C2 C3 1.513(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.393(3) . ?
C25 C24 1.390(3) . ?
C14 H14 0.9500 . ?
C14 C13 1.408(4) . ?
C26 H26 0.9500 . ?
C42 H42 0.9500 . ?
C42 C41 1.398(3) . ?
C42 C43 1.393(3) . ?
C41 C46 1.400(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.395(3) . ?
C34 C33 1.384(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.321(4) . ?
C3 H3 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.394(3) . ?
C13 H13 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.391(3) . ?
C45 C44 1.389(4) . ?
C35 H35 0.9500 . ?
C23 H23 0.9500 . ?
C33 H33 0.9500 . ?
C46 H46 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.391(4) . ?
C44 H44 0.9500 . ?

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
N1 Ru1 P1 91.39(5) . . ?
N1 Ru1 C15 108.70(8) . . ?
N1 Ru1 C11 146.19(9) . . ?
N1 Ru1 C12 144.25(9) . . ?
N1 Ru1 C14 90.27(8) . . ?
N1 Ru1 C13 106.83(8) . . ?
C15 Ru1 P1 154.69(6) . . ?
C11 Ru1 P1 121.01(7) . . ?
C11 Ru1 C15 37.49(9) . . ?
C11 Ru1 C14 61.61(9) . . ?
C11 Ru1 C13 62.26(10) . . ?
C12 Ru1 P1 92.42(6) . . ?
C12 Ru1 C15 62.28(9) . . ?
C12 Ru1 C11 37.31(9) . . ?
C12 Ru1 C14 61.58(9) . . ?
C12 Ru1 C13 37.50(10) . . ?
C14 Ru1 P1 132.14(7) . . ?
C14 Ru1 C15 36.56(9) . . ?
C13 Ru1 P1 98.41(6) . . ?
C13 Ru1 C15 61.69(9) . . ?
C13 Ru1 C14 36.43(9) . . ?
C20 Ru1 P1 91.60(8) . . ?
C20 Ru1 N1 93.26(8) . . ?
C20 Ru1 C15 102.13(10) . . ?
C20 Ru1 C11 95.04(11) . . ?
C20 Ru1 C12 122.13(10) . . ?
C20 Ru1 C14 136.03(10) . . ?
C20 Ru1 C13 157.21(10) . . ?
C31 P1 Ru1 117.43(7) . . ?
C31 P1 C21 102.11(10) . . ?
C31 P1 C41 101.05(10) . . ?
C21 P1 Ru1 116.90(7) . . ?
C21 P1 C41 104.53(10) . . ?
C41 P1 Ru1 112.78(7) . . ?
C5 N1 Ru1 124.18(15) . . ?
C5 N1 C2 107.91(18) . . ?
C2 N1 Ru1 127.84(16) . . ?
O5 C5 N1 126.1(2) . . ?
O5 C5 C4 125.0(2) . . ?
N1 C5 C4 108.92(19) . . ?
Ru1 C15 H15 123.8 . . ?
C11 C15 Ru1 69.55(13) . . ?
C11 C15 H15 126.6 . . ?
C14 C15 Ru1 71.70(13) . . ?
C14 C15 H15 126.6 . . ?
C14 C15 C11 106.7(2) . . ?
C31 C36 H36 119.8 . . ?
C31 C36 C35 120.5(2) . . ?
C35 C36 H36 119.8 . . ?
C36 C31 P1 121.98(17) . . ?
C36 C31 C32 118.9(2) . . ?
C32 C31 P1 118.80(16) . . ?
Ru1 C11 H11 121.7 . . ?
C15 C11 Ru1 72.96(13) . . ?
C15 C11 H11 125.9 . . ?
C12 C11 Ru1 71.08(14) . . ?
C12 C11 C15 108.2(2) . . ?
C12 C11 H11 125.9 . . ?
C31 C32 H32 119.7 . . ?
C33 C32 C31 120.5(2) . . ?
C33 C32 H32 119.7 . . ?
C22 C21 P1 117.45(16) . . ?
C22 C21 C26 119.1(2) . . ?
C26 C21 P1 123.42(17) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22 119.8 . . ?
Ru1 C12 H12 121.6 . . ?
C11 C12 Ru1 71.60(14) . . ?
C11 C12 H12 125.9 . . ?
C11 C12 C13 108.1(2) . . ?
C13 C12 Ru1 72.56(13) . . ?
C13 C12 H12 125.9 . . ?
O2 C2 N1 126.5(2) . . ?
O2 C2 C3 125.5(2) . . ?
N1 C2 C3 108.0(2) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.7(2) . . ?
Ru1 C14 H14 123.5 . . ?
C15 C14 Ru1 71.74(13) . . ?
C15 C14 H14 125.2 . . ?
C13 C14 Ru1 71.14(14) . . ?
C13 C14 C15 109.6(2) . . ?
C13 C14 H14 125.2 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.0(2) . . ?
C25 C26 H26 120.0 . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C43 C42 C41 120.7(2) . . ?
C42 C41 P1 122.11(17) . . ?
C42 C41 C46 118.8(2) . . ?
C46 C41 P1 118.99(17) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.7(2) . . ?
C5 C4 H4 126.3 . . ?
C3 C4 C5 107.4(2) . . ?
C3 C4 H4 126.3 . . ?
C2 C3 H3 126.1 . . ?
C4 C3 C2 107.8(2) . . ?
C4 C3 H3 126.1 . . ?
C25 C24 H24 120.2 . . ?
C25 C24 C23 119.5(2) . . ?
C23 C24 H24 120.2 . . ?
Ru1 C13 H13 123.0 . . ?
C12 C13 Ru1 69.93(14) . . ?
C12 C13 H13 126.3 . . ?
C14 C13 Ru1 72.43(15) . . ?
C14 C13 C12 107.4(2) . . ?
C14 C13 H13 126.3 . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.3(2) . . ?
C36 C35 C34 120.1(2) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C22 C23 C24 120.3(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33 119.9 . . ?
O20 C20 Ru1 172.4(2) . . ?
C41 C46 H46 119.8 . . ?
C45 C46 C41 120.4(2) . . ?
C45 C46 H46 119.8 . . ?
C42 C43 H43 120.1 . . ?
C44 C43 C42 119.9(2) . . ?
C44 C43 H43 120.1 . . ?
C45 C44 C43 120.0(2) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 C31 C36 16.7(2) . . . . ?
Ru1 P1 C31 C32 -169.90(14) . . . . ?
Ru1 P1 C21 C22 48.95(19) . . . . ?
Ru1 P1 C21 C26 -132.51(17) . . . . ?
Ru1 P1 C41 C42 -108.33(17) . . . . ?
Ru1 P1 C41 C46 68.64(19) . . . . ?
Ru1 N1 C5 O5 3.9(3) . . . . ?
Ru1 N1 C5 C4 -176.55(15) . . . . ?
Ru1 N1 C2 O2 -2.2(3) . . . . ?
Ru1 N1 C2 C3 176.81(15) . . . . ?
Ru1 C15 C11 C12 -62.78(16) . . . . ?
Ru1 C15 C14 C13 61.38(17) . . . . ?
Ru1 C11 C12 C13 -63.81(17) . . . . ?
Ru1 C12 C13 C14 -63.20(17) . . . . ?
Ru1 C14 C13 C12 61.57(16) . . . . ?
P1 C31 C32 C33 -171.46(16) . . . . ?
P1 C21 C22 C23 -178.90(17) . . . . ?
P1 C21 C26 C25 -179.67(18) . . . . ?
P1 C41 C46 C45 -179.09(19) . . . . ?
O5 C5 C4 C3 178.7(2) . . . . ?
O2 C2 C3 C4 178.8(2) . . . . ?
N1 C5 C4 C3 -0.9(3) . . . . ?
N1 C2 C3 C4 -0.3(3) . . . . ?
C5 N1 C2 O2 -179.3(2) . . . . ?
C5 N1 C2 C3 -0.3(2) . . . . ?
C5 C4 C3 C2 0.7(3) . . . . ?
C15 C11 C12 Ru1 64.00(16) . . . . ?
C15 C11 C12 C13 0.2(3) . . . . ?
C15 C14 C13 Ru1 -61.75(17) . . . . ?
C15 C14 C13 C12 -0.2(3) . . . . ?
C36 C31 C32 C33 2.1(3) . . . . ?
C31 P1 C21 C22 -80.64(18) . . . . ?
C31 P1 C21 C26 97.9(2) . . . . ?
C31 P1 C41 C42 17.9(2) . . . . ?
C31 P1 C41 C46 -165.12(18) . . . . ?
C31 C36 C35 C34 -1.2(4) . . . . ?
C31 C32 C33 C34 -1.1(3) . . . . ?
C11 C15 C14 Ru1 -61.09(15) . . . . ?
C11 C15 C14 C13 0.3(3) . . . . ?
C11 C12 C13 Ru1 63.19(17) . . . . ?
C11 C12 C13 C14 0.0(3) . . . . ?
C21 P1 C31 C36 145.99(19) . . . . ?
C21 P1 C31 C32 -40.65(19) . . . . ?
C21 P1 C41 C42 123.66(18) . . . . ?
C21 P1 C41 C46 -59.4(2) . . . . ?
C21 C22 C23 C24 -1.9(3) . . . . ?
C22 C21 C26 C25 -1.2(3) . . . . ?
C2 N1 C5 O5 -178.9(2) . . . . ?
C2 N1 C5 C4 0.7(2) . . . . ?
C25 C24 C23 C22 -0.1(3) . . . . ?
C14 C15 C11 Ru1 62.49(16) . . . . ?
C14 C15 C11 C12 -0.3(3) . . . . ?
C26 C21 C22 C23 2.5(3) . . . . ?
C26 C25 C24 C23 1.5(4) . . . . ?
C42 C41 C46 C45 -2.0(3) . . . . ?
C42 C43 C44 C45 -1.9(4) . . . . ?
C41 P1 C31 C36 -106.35(19) . . . . ?
C41 P1 C31 C32 67.01(18) . . . . ?
C41 P1 C21 C22 174.41(17) . . . . ?
C41 P1 C21 C26 -7.1(2) . . . . ?
C41 C42 C43 C44 1.2(4) . . . . ?
C24 C25 C26 C21 -0.8(4) . . . . ?
C35 C36 C31 P1 172.44(18) . . . . ?
C35 C36 C31 C32 -0.9(3) . . . . ?
C35 C34 C33 C32 -1.0(3) . . . . ?
C33 C34 C35 C36 2.2(4) . . . . ?
C46 C45 C44 C43 0.6(4) . . . . ?
C43 C42 C41 P1 177.71(18) . . . . ?
C43 C42 C41 C46 0.7(3) . . . . ?
C44 C45 C46 C41 1.4(4) . . . . ?

_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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2209335'
loop_
_audit_author_name
_audit_author_address
'Kinga Wzgarda-Raj'
;University of Lodz
Poland
;
_audit_update_record             
;
2022-09-25 deposited with the CCDC.	2023-02-16 downloaded from the CCDC.
;
_audit_creation_date             2022-09-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H16 N O6 P Ru'
_chemical_formula_sum            'C22 H16 N O6 P Ru'
_chemical_formula_weight         522.40
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   8.18020(10)
_cell_length_b                   8.7067(2)
_cell_length_c                   14.9093(3)
_cell_angle_alpha                77.209(2)
_cell_angle_beta                 83.852(2)
_cell_angle_gamma                76.573(2)
_cell_volume                     1005.49(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15700
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.0900
_cell_measurement_theta_min      2.5570
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.78a (Rigaku Oxford Diffraction, 2020)
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   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.107
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.063
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.817
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22923
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.817
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.912
_diffrn_reflns_theta_min         2.456
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.817
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4808
_reflns_number_total             5196
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5196
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0233
_refine_ls_restrained_S_all      1.071
_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)+(0.0204P)²+0.4973P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0530
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C24(H24), C12(H12), C11(H11), C4(H4), C45(H45), C14(H14), C35(H35),
 C23(H23), C3(H3), C25(H25), C34(H34), C33(H33), C44(H44), C43(H43), C15(H15)
;
_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 0.16380(2) 0.69643(2) 0.64963(2) 0.00906(4) Uani 1 1 d . . . . .
P1 P 0.28653(5) 0.55283(5) 0.78208(3) 0.00934(8) Uani 1 1 d . . . . .
O22 O 0.24123(14) 0.81663(14) 0.85610(8) 0.0148(2) Uani 1 1 d . . . . .
O2 O 0.11937(15) 1.08446(15) 0.68675(9) 0.0179(3) Uani 1 1 d . . . . .
O42 O 0.48945(15) 0.25579(15) 0.83964(9) 0.0208(3) Uani 1 1 d . . . . .
O5 O 0.56505(15) 0.72852(15) 0.58669(9) 0.0204(3) Uani 1 1 d . . . . .
O32 O 0.19604(14) 0.37657(15) 0.94925(8) 0.0159(2) Uani 1 1 d . . . . .
O20 O -0.12374(15) 0.84767(16) 0.76753(9) 0.0196(3) Uani 1 1 d . . . . .
N1 N 0.31014(16) 0.86921(16) 0.64076(10) 0.0122(3) Uani 1 1 d . . . . .
C41 C 0.47559(19) 0.39837(19) 0.77561(11) 0.0117(3) Uani 1 1 d . . . . .
C21 C 0.3512(2) 0.67225(19) 0.85114(11) 0.0120(3) Uani 1 1 d . . . . .
C2 C 0.2614(2) 1.0180(2) 0.66506(11) 0.0130(3) Uani 1 1 d . . . . .
C20 C -0.0082(2) 0.7979(2) 0.72297(12) 0.0141(3) Uani 1 1 d . . . . .
C5 C 0.4801(2) 0.8444(2) 0.61580(12) 0.0150(3) Uani 1 1 d . . . . .
C13 C 0.2687(2) 0.5240(2) 0.55494(12) 0.0154(3) Uani 1 1 d . . . . .
H13 H 0.376267 0.453089 0.560011 0.019 Uiso 1 1 calc R U . . .
C31 C 0.1495(2) 0.4443(2) 0.86077(11) 0.0125(3) Uani 1 1 d . . . . .
C24 C 0.4654(2) 0.8017(2) 0.93321(12) 0.0189(4) Uani 1 1 d . . . . .
H24 H 0.540450 0.827371 0.969228 0.023 Uiso 1 1 calc R U . . .
C12 C 0.1135(2) 0.4900(2) 0.60135(12) 0.0160(3) Uani 1 1 d . . . . .
H12 H 0.099890 0.393204 0.642781 0.019 Uiso 1 1 calc R U . . .
C11 C -0.0155(2) 0.6286(2) 0.57354(13) 0.0190(4) Uani 1 1 d . . . . .
H11 H -0.131291 0.639844 0.593162 0.023 Uiso 1 1 calc R U . . .
C4 C 0.5450(2) 0.9850(2) 0.62966(14) 0.0202(4) Uani 1 1 d . . . . .
H4 H 0.658258 0.997459 0.619352 0.024 Uiso 1 1 calc R U . . .
C45 C 0.6158(2) 0.3937(2) 0.71810(13) 0.0166(3) Uani 1 1 d . . . . .
H45 H 0.637469 0.476464 0.667896 0.020 Uiso 1 1 calc R U . . .
C14 C 0.2326(2) 0.6809(2) 0.50067(12) 0.0186(4) Uani 1 1 d . . . . .
H14 H 0.312696 0.733589 0.462937 0.022 Uiso 1 1 calc R U . . .
C35 C -0.0011(2) 0.4136(2) 0.84895(12) 0.0182(3) Uani 1 1 d . . . . .
H35 H -0.061353 0.447768 0.794443 0.022 Uiso 1 1 calc R U . . .
C23 C 0.3151(2) 0.8930(2) 0.90633(12) 0.0176(3) Uani 1 1 d . . . . .
H23 H 0.267047 0.995900 0.920301 0.021 Uiso 1 1 calc R U . . .
C3 C 0.4154(2) 1.0884(2) 0.65888(13) 0.0192(4) Uani 1 1 d . . . . .
H3 H 0.418699 1.188522 0.673299 0.023 Uiso 1 1 calc R U . . .
C25 C 0.4900(2) 0.6586(2) 0.89693(12) 0.0166(3) Uani 1 1 d . . . . .
H25 H 0.585001 0.571095 0.903608 0.020 Uiso 1 1 calc R U . . .
C34 C -0.0515(2) 0.3199(2) 0.93438(13) 0.0220(4) Uani 1 1 d . . . . .
H34 H -0.151115 0.278716 0.947826 0.026 Uiso 1 1 calc R U . . .
C33 C 0.0711(2) 0.3018(2) 0.99219(12) 0.0188(4) Uani 1 1 d . . . . .
H33 H 0.070479 0.244702 1.054355 0.023 Uiso 1 1 calc R U . . .
C44 C 0.7249(2) 0.2403(2) 0.74756(13) 0.0170(3) Uani 1 1 d . . . . .
H44 H 0.833443 0.201227 0.721267 0.020 Uiso 1 1 calc R U . . .
C43 C 0.6430(2) 0.1628(2) 0.81975(13) 0.0217(4) Uani 1 1 d . . . . .
H43 H 0.686019 0.056957 0.852887 0.026 Uiso 1 1 calc R U . . .
C15 C 0.0575(2) 0.7482(2) 0.51118(12) 0.0209(4) Uani 1 1 d . . . . .
H15 H 0.000014 0.852535 0.482358 0.025 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.2845(4) . ?
Ru1 N1 2.1042(13) . ?
Ru1 C20 1.8646(17) . ?
Ru1 C13 2.2506(17) . ?
Ru1 C12 2.2130(16) . ?
Ru1 C11 2.2008(16) . ?
Ru1 C14 2.2578(17) . ?
Ru1 C15 2.2386(17) . ?
P1 C41 1.8081(16) . ?
P1 C21 1.8078(16) . ?
P1 C31 1.8011(17) . ?
O22 C21 1.3773(19) . ?
O22 C23 1.368(2) . ?
O2 C2 1.216(2) . ?
O42 C41 1.378(2) . ?
O42 C43 1.369(2) . ?
O5 C5 1.222(2) . ?
O32 C31 1.375(2) . ?
O32 C33 1.364(2) . ?
O20 C20 1.151(2) . ?
N1 C2 1.380(2) . ?
N1 C5 1.379(2) . ?
C41 C45 1.355(2) . ?
C21 C25 1.355(2) . ?
C2 C3 1.510(2) . ?
C5 C4 1.504(2) . ?
C13 H13 0.9500 . ?
C13 C12 1.440(2) . ?
C13 C14 1.408(3) . ?
C31 C35 1.357(2) . ?
C24 H24 0.9500 . ?
C24 C23 1.348(3) . ?
C24 C25 1.430(3) . ?
C12 H12 0.9500 . ?
C12 C11 1.422(2) . ?
C11 H11 0.9500 . ?
C11 C15 1.431(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.325(3) . ?
C45 H45 0.9500 . ?
C45 C44 1.430(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.422(3) . ?
C35 H35 0.9500 . ?
C35 C34 1.429(3) . ?
C23 H23 0.9500 . ?
C3 H3 0.9500 . ?
C25 H25 0.9500 . ?
C34 H34 0.9500 . ?
C34 C33 1.351(3) . ?
C33 H33 0.9500 . ?
C44 H44 0.9500 . ?
C44 C43 1.340(3) . ?
C43 H43 0.9500 . ?
C15 H15 0.9500 . ?

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
N1 Ru1 P1 90.05(4) . . ?
N1 Ru1 C13 112.11(6) . . ?
N1 Ru1 C12 149.63(6) . . ?
N1 Ru1 C11 142.14(6) . . ?
N1 Ru1 C14 91.27(6) . . ?
N1 Ru1 C15 105.03(6) . . ?
C20 Ru1 P1 87.85(5) . . ?
C20 Ru1 N1 93.62(6) . . ?
C20 Ru1 C13 152.94(7) . . ?
C20 Ru1 C12 115.99(7) . . ?
C20 Ru1 C11 92.40(7) . . ?
C20 Ru1 C14 140.46(7) . . ?
C20 Ru1 C15 104.51(7) . . ?
C13 Ru1 P1 99.90(5) . . ?
C13 Ru1 C14 36.41(6) . . ?
C12 Ru1 P1 97.25(5) . . ?
C12 Ru1 C13 37.62(6) . . ?
C12 Ru1 C14 61.97(7) . . ?
C12 Ru1 C15 62.85(7) . . ?
C11 Ru1 P1 127.53(5) . . ?
C11 Ru1 C13 62.28(6) . . ?
C11 Ru1 C12 37.59(6) . . ?
C11 Ru1 C14 61.80(7) . . ?
C11 Ru1 C15 37.59(7) . . ?
C14 Ru1 P1 131.40(5) . . ?
C15 Ru1 P1 159.59(5) . . ?
C15 Ru1 C13 61.92(6) . . ?
C15 Ru1 C14 36.88(7) . . ?
C41 P1 Ru1 119.54(6) . . ?
C21 P1 Ru1 115.00(5) . . ?
C21 P1 C41 101.20(7) . . ?
C31 P1 Ru1 113.33(5) . . ?
C31 P1 C41 102.20(8) . . ?
C31 P1 C21 103.43(8) . . ?
C23 O22 C21 106.55(13) . . ?
C43 O42 C41 105.87(14) . . ?
C33 O32 C31 106.42(13) . . ?
C2 N1 Ru1 127.77(11) . . ?
C5 N1 Ru1 124.12(11) . . ?
C5 N1 C2 107.91(13) . . ?
O42 C41 P1 118.03(12) . . ?
C45 C41 P1 132.04(13) . . ?
C45 C41 O42 109.93(14) . . ?
O22 C21 P1 115.01(11) . . ?
C25 C21 P1 135.05(13) . . ?
C25 C21 O22 109.83(14) . . ?
O2 C2 N1 126.88(15) . . ?
O2 C2 C3 124.76(16) . . ?
N1 C2 C3 108.35(14) . . ?
O20 C20 Ru1 172.43(15) . . ?
O5 C5 N1 126.28(16) . . ?
O5 C5 C4 125.05(16) . . ?
N1 C5 C4 108.67(15) . . ?
Ru1 C13 H13 123.7 . . ?
C12 C13 Ru1 69.77(9) . . ?
C12 C13 H13 126.1 . . ?
C14 C13 Ru1 72.07(10) . . ?
C14 C13 H13 126.1 . . ?
C14 C13 C12 107.85(15) . . ?
O32 C31 P1 119.22(11) . . ?
C35 C31 P1 130.90(13) . . ?
C35 C31 O32 109.88(15) . . ?
C23 C24 H24 126.7 . . ?
C23 C24 C25 106.57(15) . . ?
C25 C24 H24 126.7 . . ?
Ru1 C12 H12 122.0 . . ?
C13 C12 Ru1 72.61(9) . . ?
C13 C12 H12 126.4 . . ?
C11 C12 Ru1 70.74(10) . . ?
C11 C12 C13 107.12(16) . . ?
C11 C12 H12 126.4 . . ?
Ru1 C11 H11 121.8 . . ?
C12 C11 Ru1 71.67(9) . . ?
C12 C11 H11 125.6 . . ?
C12 C11 C15 108.90(16) . . ?
C15 C11 Ru1 72.64(10) . . ?
C15 C11 H11 125.6 . . ?
C5 C4 H4 126.3 . . ?
C3 C4 C5 107.49(15) . . ?
C3 C4 H4 126.3 . . ?
C41 C45 H45 126.6 . . ?
C41 C45 C44 106.75(16) . . ?
C44 C45 H45 126.6 . . ?
Ru1 C14 H14 123.9 . . ?
C13 C14 Ru1 71.52(10) . . ?
C13 C14 H14 125.3 . . ?
C13 C14 C15 109.35(16) . . ?
C15 C14 Ru1 70.83(10) . . ?
C15 C14 H14 125.3 . . ?
C31 C35 H35 126.7 . . ?
C31 C35 C34 106.68(16) . . ?
C34 C35 H35 126.7 . . ?
O22 C23 H23 124.8 . . ?
C24 C23 O22 110.48(15) . . ?
C24 C23 H23 124.8 . . ?
C2 C3 H3 126.2 . . ?
C4 C3 C2 107.50(15) . . ?
C4 C3 H3 126.2 . . ?
C21 C25 C24 106.57(15) . . ?
C21 C25 H25 126.7 . . ?
C24 C25 H25 126.7 . . ?
C35 C34 H34 126.9 . . ?
C33 C34 C35 106.16(16) . . ?
C33 C34 H34 126.9 . . ?
O32 C33 H33 124.6 . . ?
C34 C33 O32 110.87(16) . . ?
C34 C33 H33 124.6 . . ?
C45 C44 H44 126.9 . . ?
C43 C44 C45 106.12(15) . . ?
C43 C44 H44 126.9 . . ?
O42 C43 H43 124.3 . . ?
C44 C43 O42 111.33(16) . . ?
C44 C43 H43 124.3 . . ?
Ru1 C15 H15 123.0 . . ?
C11 C15 Ru1 69.77(10) . . ?
C11 C15 H15 126.6 . . ?
C14 C15 Ru1 72.29(10) . . ?
C14 C15 C11 106.78(16) . . ?
C14 C15 H15 126.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 C41 O42 -138.81(11) . . . . ?
Ru1 P1 C41 C45 42.04(19) . . . . ?
Ru1 P1 C21 O22 39.63(13) . . . . ?
Ru1 P1 C21 C25 -135.99(17) . . . . ?
Ru1 P1 C31 O32 -168.59(10) . . . . ?
Ru1 P1 C31 C35 11.70(19) . . . . ?
Ru1 N1 C2 O2 -8.7(2) . . . . ?
Ru1 N1 C2 C3 172.21(11) . . . . ?
Ru1 N1 C5 O5 8.0(2) . . . . ?
Ru1 N1 C5 C4 -172.40(11) . . . . ?
Ru1 C13 C12 C11 62.73(11) . . . . ?
Ru1 C13 C14 C15 -61.03(12) . . . . ?
Ru1 C12 C11 C15 63.53(12) . . . . ?
Ru1 C11 C15 C14 63.28(12) . . . . ?
Ru1 C14 C15 C11 -61.62(12) . . . . ?
P1 C41 C45 C44 178.87(13) . . . . ?
P1 C21 C25 C24 176.19(15) . . . . ?
P1 C31 C35 C34 179.12(14) . . . . ?
O22 C21 C25 C24 0.4(2) . . . . ?
O2 C2 C3 C4 -177.41(17) . . . . ?
O42 C41 C45 C44 -0.34(19) . . . . ?
O5 C5 C4 C3 177.85(17) . . . . ?
O32 C31 C35 C34 -0.6(2) . . . . ?
N1 C2 C3 C4 1.7(2) . . . . ?
N1 C5 C4 C3 -1.8(2) . . . . ?
C41 P1 C21 O22 169.93(12) . . . . ?
C41 P1 C21 C25 -5.7(2) . . . . ?
C41 P1 C31 O32 61.43(14) . . . . ?
C41 P1 C31 C35 -118.29(17) . . . . ?
C41 O42 C43 C44 0.4(2) . . . . ?
C41 C45 C44 C43 0.6(2) . . . . ?
C21 P1 C41 O42 93.78(13) . . . . ?
C21 P1 C41 C45 -85.37(18) . . . . ?
C21 P1 C31 O32 -43.40(14) . . . . ?
C21 P1 C31 C35 136.89(17) . . . . ?
C21 O22 C23 C24 -0.41(19) . . . . ?
C2 N1 C5 O5 -176.80(17) . . . . ?
C2 N1 C5 C4 2.80(18) . . . . ?
C5 N1 C2 O2 176.29(17) . . . . ?
C5 N1 C2 C3 -2.76(18) . . . . ?
C5 C4 C3 C2 0.0(2) . . . . ?
C13 C12 C11 Ru1 -63.96(11) . . . . ?
C13 C12 C11 C15 -0.43(19) . . . . ?
C13 C14 C15 Ru1 61.46(12) . . . . ?
C13 C14 C15 C11 -0.16(19) . . . . ?
C31 P1 C41 O42 -12.78(14) . . . . ?
C31 P1 C41 C45 168.07(17) . . . . ?
C31 P1 C21 O22 -84.47(13) . . . . ?
C31 P1 C21 C25 99.91(19) . . . . ?
C31 O32 C33 C34 0.0(2) . . . . ?
C31 C35 C34 C33 0.6(2) . . . . ?
C12 C13 C14 Ru1 60.93(11) . . . . ?
C12 C13 C14 C15 -0.10(19) . . . . ?
C12 C11 C15 Ru1 -62.92(12) . . . . ?
C12 C11 C15 C14 0.36(19) . . . . ?
C45 C44 C43 O42 -0.6(2) . . . . ?
C14 C13 C12 Ru1 -62.40(12) . . . . ?
C14 C13 C12 C11 0.33(19) . . . . ?
C35 C34 C33 O32 -0.3(2) . . . . ?
C23 O22 C21 P1 -176.73(11) . . . . ?
C23 O22 C21 C25 -0.02(19) . . . . ?
C23 C24 C25 C21 -0.7(2) . . . . ?
C25 C24 C23 O22 0.7(2) . . . . ?
C33 O32 C31 P1 -179.36(12) . . . . ?
C33 O32 C31 C35 0.41(19) . . . . ?
C43 O42 C41 P1 -179.34(12) . . . . ?
C43 O42 C41 C45 -0.01(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
