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

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

data_[ru]-3
_database_code_depnum_ccdc_archive 'CCDC 1994921'
loop_
_audit_author_name
_audit_author_address
'MAHENDRA AWASTHI'
;Indian Institute of Technology Indore
India
;
_audit_update_record             
;
2020-08-30 deposited with the CCDC.	2020-12-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H22 Cl2 N4 Ru'
_chemical_formula_weight         442.35

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'
Cl Cl 0.1484 0.1585 '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/n'
_space_group_name_Hall           '-P 2yn'


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

_cell_length_a                   9.3770(11)
_cell_length_b                   17.874(3)
_cell_length_c                   12.9381(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.762(12)
_cell_angle_gamma                90.00
_cell_volume                     2153.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1996
_cell_measurement_theta_min      3.0540
_cell_measurement_theta_max      20.0100

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             896
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7382
_exptl_absorpt_correction_T_max  0.8061
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       ω/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20947
_diffrn_reflns_av_R_equivalents  0.4480
_diffrn_reflns_av_sigmaI/netI    0.2777
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         24.75
_reflns_number_total             3671
_reflns_number_gt                1212
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1859P)²+0.1702P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3671
_refine_ls_number_parameters     211
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2192
_refine_ls_R_factor_gt           0.1085
_refine_ls_wR_factor_ref         0.3496
_refine_ls_wR_factor_gt          0.2792
_refine_ls_goodness_of_fit_ref   0.789
_refine_ls_restrained_S_all      0.789
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C2 C 0.335(2) 0.7480(12) 0.8337(17) 0.108(6) Uani 1 1 d . . .
C7 C 0.343(2) 0.6755(9) 0.8688(12) 0.076(5) Uani 1 1 d . . .
H7 H 0.3046 0.6610 0.9285 0.091 Uiso 1 1 calc R . .
C6 C 0.4173(19) 0.6221(11) 0.8075(15) 0.095(6) Uani 1 1 d . . .
H6 H 0.4325 0.5741 0.8345 0.114 Uiso 1 1 calc R . .
C5 C 0.4658(19) 0.6370(12) 0.7133(16) 0.094(6) Uani 1 1 d . . .
C4 C 0.445(2) 0.7128(13) 0.6801(14) 0.094(6) Uani 1 1 d . . .
H4 H 0.4782 0.7264 0.6177 0.113 Uiso 1 1 calc R . .
C3 C 0.381(2) 0.7666(10) 0.7326(17) 0.098(6) Uani 1 1 d . . .
H3 H 0.3668 0.8144 0.7048 0.118 Uiso 1 1 calc R . .
N3 N 0.0393(15) 0.7269(7) 0.7248(10) 0.078(4) Uani 1 1 d . . .
C16 C -0.033(2) 0.7215(10) 0.8093(16) 0.099(6) Uani 1 1 d . . .
H16 H -0.0048 0.6937 0.8689 0.119 Uiso 1 1 calc R . .
C15 C -0.155(2) 0.7640(12) 0.7919(18) 0.108(6) Uani 1 1 d . . .
H15 H -0.2269 0.7703 0.8350 0.130 Uiso 1 1 calc R . .
N4 N -0.147(2) 0.7935(10) 0.7011(15) 0.109(5) Uani 1 1 d . . .
H4A H -0.2078 0.8244 0.6701 0.131 Uiso 1 1 calc R . .
C14 C -0.032(3) 0.7692(11) 0.6641(14) 0.106(7) Uani 1 1 d . . .
H14 H -0.0076 0.7824 0.5991 0.127 Uiso 1 1 calc R . .
N1 N 0.1198(14) 0.5753(7) 0.7121(10) 0.077(4) Uani 1 1 d . . .
C11 C 0.0828(18) 0.5432(10) 0.7964(13) 0.082(5) Uani 1 1 d . . .
H11 H 0.1058 0.5614 0.8636 0.098 Uiso 1 1 calc R . .
N2 N 0.0063(14) 0.4795(8) 0.7719(12) 0.086(4) Uani 1 1 d . . .
H2 H -0.0294 0.4503 0.8149 0.103 Uiso 1 1 calc R . .
C12 C -0.003(2) 0.4713(10) 0.6739(16) 0.108(7) Uani 1 1 d . . .
H12 H -0.0475 0.4314 0.6372 0.129 Uiso 1 1 calc R . .
C13 C 0.061(2) 0.5279(12) 0.6311(14) 0.115(7) Uani 1 1 d . . .
H13 H 0.0663 0.5350 0.5604 0.138 Uiso 1 1 calc R . .
Ru1 Ru 0.23911(14) 0.67445(7) 0.70942(9) 0.0698(6) Uani 1 1 d . . .
Cl1 Cl 0.1705(6) 0.6777(2) 0.5235(3) 0.0953(15) Uani 1 1 d . . .
Cl2 Cl 0.1099(6) 0.6202(3) 0.0588(3) 0.0996(16) Uani 1 1 d . . .
C10 C 0.475(4) 0.5023(15) 0.658(2) 0.198(14) Uani 1 1 d . . .
H10C H 0.5184 0.4659 0.6175 0.296 Uiso 1 1 calc R . .
H10B H 0.3732 0.5038 0.6368 0.296 Uiso 1 1 calc R . .
H10A H 0.4915 0.4888 0.7306 0.296 Uiso 1 1 calc R . .
C1 C 0.276(2) 0.8075(12) 0.8950(18) 0.139(9) Uani 1 1 d . . .
H1C H 0.2187 0.7857 0.9437 0.208 Uiso 1 1 calc R . .
H1A H 0.2182 0.8407 0.8493 0.208 Uiso 1 1 calc R . .
H1B H 0.3540 0.8351 0.9321 0.208 Uiso 1 1 calc R . .
C9 C 0.681(3) 0.593(2) 0.640(3) 0.242(19) Uani 1 1 d . . .
H9C H 0.7319 0.5866 0.7088 0.363 Uiso 1 1 calc R . .
H9A H 0.6931 0.6432 0.6172 0.363 Uiso 1 1 calc R . .
H9B H 0.7195 0.5587 0.5932 0.363 Uiso 1 1 calc R . .
C8 C 0.539(3) 0.5783(16) 0.643(2) 0.162(11) Uani 1 1 d . . .
H8 H 0.4968 0.5916 0.5723 0.194 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C2 C7 1.37(2) . ?
C2 C3 1.46(3) . ?
C2 C1 1.47(2) . ?
C2 Ru1 2.186(17) . ?
C7 C6 1.47(2) . ?
C7 Ru1 2.176(14) . ?
C6 C5 1.38(2) . ?
C6 Ru1 2.186(16) . ?
C5 C4 1.43(3) . ?
C5 C8 1.60(3) . ?
C5 Ru1 2.224(19) . ?
C4 C3 1.36(2) . ?
C4 Ru1 2.126(16) . ?
C3 Ru1 2.117(16) . ?
N3 C14 1.23(2) . ?
N3 C16 1.36(2) . ?
N3 Ru1 2.125(14) . ?
C16 C15 1.37(2) . ?
C15 N4 1.30(2) . ?
N4 C14 1.30(2) . ?
N1 C11 1.315(18) . ?
N1 C13 1.407(19) . ?
N1 Ru1 2.098(12) . ?
C11 N2 1.363(18) . ?
N2 C12 1.27(2) . ?
C12 C13 1.33(2) . ?
Ru1 Cl1 2.416(4) . ?
C10 C8 1.51(4) . ?
C9 C8 1.37(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 C2 C3 119.8(19) . . ?
C7 C2 C1 121(2) . . ?
C3 C2 C1 119(2) . . ?
C7 C2 Ru1 71.3(9) . . ?
C3 C2 Ru1 67.6(10) . . ?
C1 C2 Ru1 133.3(16) . . ?
C2 C7 C6 116.8(18) . . ?
C2 C7 Ru1 72.1(10) . . ?
C6 C7 Ru1 70.7(8) . . ?
C5 C6 C7 125.3(17) . . ?
C5 C6 Ru1 73.3(10) . . ?
C7 C6 Ru1 70.0(9) . . ?
C6 C5 C4 113.8(18) . . ?
C6 C5 C8 126(2) . . ?
C4 C5 C8 120(2) . . ?
C6 C5 Ru1 70.3(11) . . ?
C4 C5 Ru1 67.2(10) . . ?
C8 C5 Ru1 131.2(14) . . ?
C3 C4 C5 125.0(17) . . ?
C3 C4 Ru1 71.0(11) . . ?
C5 C4 Ru1 74.6(10) . . ?
C4 C3 C2 118.8(18) . . ?
C4 C3 Ru1 71.7(10) . . ?
C2 C3 Ru1 72.6(10) . . ?
C14 N3 C16 105.6(16) . . ?
C14 N3 Ru1 129.3(15) . . ?
C16 N3 Ru1 125.1(12) . . ?
N3 C16 C15 108.4(17) . . ?
N4 C15 C16 104(2) . . ?
C14 N4 C15 109.8(18) . . ?
N3 C14 N4 112.5(18) . . ?
C11 N1 C13 103.7(14) . . ?
C11 N1 Ru1 125.1(11) . . ?
C13 N1 Ru1 131.2(12) . . ?
N1 C11 N2 110.8(14) . . ?
C12 N2 C11 107.4(15) . . ?
N2 C12 C13 110.4(17) . . ?
C12 C13 N1 107.7(15) . . ?
N1 Ru1 C3 169.3(6) . . ?
N1 Ru1 N3 83.9(5) . . ?
C3 Ru1 N3 101.0(7) . . ?
N1 Ru1 C4 140.6(8) . . ?
C3 Ru1 C4 37.3(7) . . ?
N3 Ru1 C4 134.8(8) . . ?
N1 Ru1 C7 100.0(5) . . ?
C3 Ru1 C7 69.8(7) . . ?
N3 Ru1 C7 102.2(6) . . ?
C4 Ru1 C7 81.3(7) . . ?
N1 Ru1 C2 132.0(7) . . ?
C3 Ru1 C2 39.8(7) . . ?
N3 Ru1 C2 87.5(7) . . ?
C4 Ru1 C2 68.6(8) . . ?
C7 Ru1 C2 36.7(6) . . ?
N1 Ru1 C6 90.1(6) . . ?
C3 Ru1 C6 80.0(7) . . ?
N3 Ru1 C6 139.2(7) . . ?
C4 Ru1 C6 66.0(8) . . ?
C7 Ru1 C6 39.3(6) . . ?
C2 Ru1 C6 67.2(8) . . ?
N1 Ru1 C5 104.8(7) . . ?
C3 Ru1 C5 69.4(7) . . ?
N3 Ru1 C5 169.0(6) . . ?
C4 Ru1 C5 38.2(7) . . ?
C7 Ru1 C5 70.1(7) . . ?
C2 Ru1 C5 81.7(8) . . ?
C6 Ru1 C5 36.4(6) . . ?
N1 Ru1 Cl1 87.5(4) . . ?
C3 Ru1 Cl1 102.2(6) . . ?
N3 Ru1 Cl1 87.0(4) . . ?
C4 Ru1 Cl1 87.5(5) . . ?
C7 Ru1 Cl1 168.7(5) . . ?
C2 Ru1 Cl1 139.1(7) . . ?
C6 Ru1 Cl1 133.1(6) . . ?
C5 Ru1 Cl1 99.9(6) . . ?
C9 C8 C10 126(3) . . ?
C9 C8 C5 112(3) . . ?
C10 C8 C5 108(2) . . ?

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
C3 C2 C7 C6 8(3) . . . . ?
C1 C2 C7 C6 -173.6(16) . . . . ?
Ru1 C2 C7 C6 56.5(13) . . . . ?
C3 C2 C7 Ru1 -48.8(16) . . . . ?
C1 C2 C7 Ru1 130(2) . . . . ?
C2 C7 C6 C5 -6(3) . . . . ?
Ru1 C7 C6 C5 50.7(16) . . . . ?
C2 C7 C6 Ru1 -57.2(14) . . . . ?
C7 C6 C5 C4 3(3) . . . . ?
Ru1 C6 C5 C4 52.6(13) . . . . ?
C7 C6 C5 C8 -176.6(18) . . . . ?
Ru1 C6 C5 C8 -127(2) . . . . ?
C7 C6 C5 Ru1 -49.4(16) . . . . ?
C6 C5 C4 C3 -2(3) . . . . ?
C8 C5 C4 C3 178.2(19) . . . . ?
Ru1 C5 C4 C3 52.7(17) . . . . ?
C6 C5 C4 Ru1 -54.2(14) . . . . ?
C8 C5 C4 Ru1 125.5(18) . . . . ?
C5 C4 C3 C2 3(3) . . . . ?
Ru1 C4 C3 C2 57.3(16) . . . . ?
C5 C4 C3 Ru1 -54.2(17) . . . . ?
C7 C2 C3 C4 -6(3) . . . . ?
C1 C2 C3 C4 174.9(17) . . . . ?
Ru1 C2 C3 C4 -56.9(15) . . . . ?
C7 C2 C3 Ru1 50.5(16) . . . . ?
C1 C2 C3 Ru1 -128.3(18) . . . . ?
C14 N3 C16 C15 1(2) . . . . ?
Ru1 N3 C16 C15 178.5(12) . . . . ?
N3 C16 C15 N4 -2(2) . . . . ?
C16 C15 N4 C14 2(2) . . . . ?
C16 N3 C14 N4 1(2) . . . . ?
Ru1 N3 C14 N4 -177.1(12) . . . . ?
C15 N4 C14 N3 -2(3) . . . . ?
C13 N1 C11 N2 0.2(19) . . . . ?
Ru1 N1 C11 N2 -179.8(10) . . . . ?
N1 C11 N2 C12 1(2) . . . . ?
C11 N2 C12 C13 -2(2) . . . . ?
N2 C12 C13 N1 2(3) . . . . ?
C11 N1 C13 C12 -1(2) . . . . ?
Ru1 N1 C13 C12 178.8(13) . . . . ?
C11 N1 Ru1 C3 38(5) . . . . ?
C13 N1 Ru1 C3 -142(4) . . . . ?
C11 N1 Ru1 N3 -79.7(14) . . . . ?
C13 N1 Ru1 N3 100.3(16) . . . . ?
C11 N1 Ru1 C4 110.1(15) . . . . ?
C13 N1 Ru1 C4 -69.9(18) . . . . ?
C11 N1 Ru1 C7 21.6(15) . . . . ?
C13 N1 Ru1 C7 -158.4(16) . . . . ?
C11 N1 Ru1 C2 1.3(18) . . . . ?
C13 N1 Ru1 C2 -178.7(16) . . . . ?
C11 N1 Ru1 C6 59.8(15) . . . . ?
C13 N1 Ru1 C6 -120.2(17) . . . . ?
C11 N1 Ru1 C5 93.5(15) . . . . ?
C13 N1 Ru1 C5 -86.6(17) . . . . ?
C11 N1 Ru1 Cl1 -167.0(14) . . . . ?
C13 N1 Ru1 Cl1 13.0(16) . . . . ?
C4 C3 Ru1 N1 86(4) . . . . ?
C2 C3 Ru1 N1 -44(5) . . . . ?
C4 C3 Ru1 N3 -158.3(12) . . . . ?
C2 C3 Ru1 N3 72.3(12) . . . . ?
C2 C3 Ru1 C4 -129.4(18) . . . . ?
C4 C3 Ru1 C7 102.7(13) . . . . ?
C2 C3 Ru1 C7 -26.7(12) . . . . ?
C4 C3 Ru1 C2 129.4(18) . . . . ?
C4 C3 Ru1 C6 63.3(12) . . . . ?
C2 C3 Ru1 C6 -66.1(13) . . . . ?
C4 C3 Ru1 C5 27.1(12) . . . . ?
C2 C3 Ru1 C5 -102.3(13) . . . . ?
C4 C3 Ru1 Cl1 -69.0(12) . . . . ?
C2 C3 Ru1 Cl1 161.6(11) . . . . ?
C14 N3 Ru1 N1 -116.6(17) . . . . ?
C16 N3 Ru1 N1 66.1(14) . . . . ?
C14 N3 Ru1 C3 73.0(18) . . . . ?
C16 N3 Ru1 C3 -104.2(15) . . . . ?
C14 N3 Ru1 C4 54.6(19) . . . . ?
C16 N3 Ru1 C4 -122.6(15) . . . . ?
C14 N3 Ru1 C7 144.4(17) . . . . ?
C16 N3 Ru1 C7 -32.8(15) . . . . ?
C14 N3 Ru1 C2 110.6(18) . . . . ?
C16 N3 Ru1 C2 -66.6(15) . . . . ?
C14 N3 Ru1 C6 160.4(16) . . . . ?
C16 N3 Ru1 C6 -16.9(18) . . . . ?
C14 N3 Ru1 C5 101(4) . . . . ?
C16 N3 Ru1 C5 -77(4) . . . . ?
C14 N3 Ru1 Cl1 -28.8(17) . . . . ?
C16 N3 Ru1 Cl1 153.9(14) . . . . ?
C3 C4 Ru1 N1 -163.0(11) . . . . ?
C5 C4 Ru1 N1 -26.5(15) . . . . ?
C5 C4 Ru1 C3 136.5(17) . . . . ?
C3 C4 Ru1 N3 30.8(15) . . . . ?
C5 C4 Ru1 N3 167.2(10) . . . . ?
C3 C4 Ru1 C7 -67.8(12) . . . . ?
C5 C4 Ru1 C7 68.7(11) . . . . ?
C3 C4 Ru1 C2 -32.1(12) . . . . ?
C5 C4 Ru1 C2 104.4(12) . . . . ?
C3 C4 Ru1 C6 -105.7(13) . . . . ?
C5 C4 Ru1 C6 30.8(10) . . . . ?
C3 C4 Ru1 C5 -136.5(17) . . . . ?
C3 C4 Ru1 Cl1 114.0(12) . . . . ?
C5 C4 Ru1 Cl1 -109.5(10) . . . . ?
C2 C7 Ru1 N1 -154.4(13) . . . . ?
C6 C7 Ru1 N1 77.7(11) . . . . ?
C2 C7 Ru1 C3 28.8(13) . . . . ?
C6 C7 Ru1 C3 -99.1(12) . . . . ?
C2 C7 Ru1 N3 -68.5(14) . . . . ?
C6 C7 Ru1 N3 163.5(10) . . . . ?
C2 C7 Ru1 C4 65.6(14) . . . . ?
C6 C7 Ru1 C4 -62.4(11) . . . . ?
C6 C7 Ru1 C2 -128.0(18) . . . . ?
C2 C7 Ru1 C6 128.0(18) . . . . ?
C2 C7 Ru1 C5 103.4(14) . . . . ?
C6 C7 Ru1 C5 -24.6(10) . . . . ?
C2 C7 Ru1 Cl1 75(3) . . . . ?
C6 C7 Ru1 Cl1 -53(3) . . . . ?
C7 C2 Ru1 N1 35.0(17) . . . . ?
C3 C2 Ru1 N1 170.0(11) . . . . ?
C1 C2 Ru1 N1 -80(3) . . . . ?
C7 C2 Ru1 C3 -135.0(19) . . . . ?
C1 C2 Ru1 C3 110(3) . . . . ?
C7 C2 Ru1 N3 114.4(14) . . . . ?
C3 C2 Ru1 N3 -110.6(12) . . . . ?
C1 C2 Ru1 N3 -1(2) . . . . ?
C7 C2 Ru1 C4 -104.8(15) . . . . ?
C3 C2 Ru1 C4 30.2(12) . . . . ?
C1 C2 Ru1 C4 140(3) . . . . ?
C3 C2 Ru1 C7 135.0(19) . . . . ?
C1 C2 Ru1 C7 -115(3) . . . . ?
C7 C2 Ru1 C6 -32.8(12) . . . . ?
C3 C2 Ru1 C6 102.2(14) . . . . ?
C1 C2 Ru1 C6 -148(3) . . . . ?
C7 C2 Ru1 C5 -67.5(13) . . . . ?
C3 C2 Ru1 C5 67.5(12) . . . . ?
C1 C2 Ru1 C5 177(3) . . . . ?
C7 C2 Ru1 Cl1 -163.1(10) . . . . ?
C3 C2 Ru1 Cl1 -28.1(17) . . . . ?
C1 C2 Ru1 Cl1 81(3) . . . . ?
C5 C6 Ru1 N1 115.4(12) . . . . ?
C7 C6 Ru1 N1 -105.8(10) . . . . ?
C5 C6 Ru1 C3 -68.6(12) . . . . ?
C7 C6 Ru1 C3 70.1(11) . . . . ?
C5 C6 Ru1 N3 -163.9(11) . . . . ?
C7 C6 Ru1 N3 -25.1(14) . . . . ?
C5 C6 Ru1 C4 -32.3(11) . . . . ?
C7 C6 Ru1 C4 106.5(11) . . . . ?
C5 C6 Ru1 C7 -138.8(17) . . . . ?
C5 C6 Ru1 C2 -108.0(13) . . . . ?
C7 C6 Ru1 C2 30.7(10) . . . . ?
C7 C6 Ru1 C5 138.8(17) . . . . ?
C5 C6 Ru1 Cl1 28.8(14) . . . . ?
C7 C6 Ru1 Cl1 167.6(8) . . . . ?
C6 C5 Ru1 N1 -69.1(12) . . . . ?
C4 C5 Ru1 N1 162.9(10) . . . . ?
C8 C5 Ru1 N1 52(2) . . . . ?
C6 C5 Ru1 C3 101.5(12) . . . . ?
C4 C5 Ru1 C3 -26.5(10) . . . . ?
C8 C5 Ru1 C3 -138(3) . . . . ?
C6 C5 Ru1 N3 72(4) . . . . ?
C4 C5 Ru1 N3 -56(4) . . . . ?
C8 C5 Ru1 N3 -167(3) . . . . ?
C6 C5 Ru1 C4 128.0(17) . . . . ?
C8 C5 Ru1 C4 -111(3) . . . . ?
C6 C5 Ru1 C7 26.4(11) . . . . ?
C4 C5 Ru1 C7 -101.6(11) . . . . ?
C8 C5 Ru1 C7 147(2) . . . . ?
C6 C5 Ru1 C2 62.3(12) . . . . ?
C4 C5 Ru1 C2 -65.7(11) . . . . ?
C8 C5 Ru1 C2 -177(2) . . . . ?
C4 C5 Ru1 C6 -128.0(17) . . . . ?
C8 C5 Ru1 C6 121(3) . . . . ?
C6 C5 Ru1 Cl1 -159.1(11) . . . . ?
C4 C5 Ru1 Cl1 72.9(10) . . . . ?
C8 C5 Ru1 Cl1 -38(2) . . . . ?
C6 C5 C8 C9 -111(3) . . . . ?
C4 C5 C8 C9 70(3) . . . . ?
Ru1 C5 C8 C9 155(2) . . . . ?
C6 C5 C8 C10 32(3) . . . . ?
C4 C5 C8 C10 -148(2) . . . . ?
Ru1 C5 C8 C10 -63(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        24.75
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.235
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.168
####################################################################### 
# 
# 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_[Ru]-1A
_database_code_depnum_ccdc_archive 'CCDC 1994922'
loop_
_audit_author_name
_audit_author_address
'Mahendra Kumar Awasthi'
;Indian Institute of Technology Indore
India
;
_audit_update_record             
;
2020-04-05 deposited with the CCDC.	2020-12-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H30 Cl F6 O2 P Ru2'
_chemical_formula_weight         697.01

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

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

_cell_length_a                   8.8368(7)
_cell_length_b                   13.7394(9)
_cell_length_c                   10.8131(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.992(2)
_cell_angle_gamma                90.00
_cell_volume                     1311.05(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    30441
_cell_measurement_theta_min      2.74
_cell_measurement_theta_max      28.35

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             692
_exptl_absorpt_coefficient_mu    1.373
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30441
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0201
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.74
_diffrn_reflns_theta_max         28.35
_reflns_number_total             3351
_reflns_number_gt                2877
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0652P)²+2.5673P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3351
_refine_ls_number_parameters     166
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.1123
_refine_ls_wR_factor_gt          0.0981
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_restrained_S_all      0.951
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.48648(3) 0.353328(17) 0.28554(2) 0.03895(12) Uani 1 1 d . . .
Cl1 Cl 0.28030(16) 0.2500 0.33589(14) 0.0564(3) Uani 1 2 d S . .
P1 P 0.84107(19) 0.2500 0.88107(17) 0.0656(4) Uani 1 2 d S . .
F1 F 1.0170(5) 0.2500 0.8837(5) 0.0933(14) Uani 1 2 d S . .
F2 F 0.8372(7) 0.2500 0.7441(5) 0.274(8) Uani 1 2 d S . .
F3 F 0.8436(9) 0.2500 1.0266(6) 0.158(3) Uani 1 2 d S . .
F4 F 0.6636(6) 0.2500 0.8761(8) 0.190(4) Uani 1 2 d S . .
F6 F 0.8404(9) 0.3600(4) 0.8889(10) 0.213(4) Uani 1 1 d . . .
C1 C 0.6352(5) 0.4783(3) 0.2713(4) 0.0577(9) Uani 1 1 d . . .
C2 C 0.4915(5) 0.5120(3) 0.3060(4) 0.0608(10) Uani 1 1 d . . .
H1 H 0.4860 0.5516 0.3754 0.073 Uiso 1 1 calc R . .
C3 C 0.3605(6) 0.4874(3) 0.2392(4) 0.0647(11) Uani 1 1 d . . .
H2 H 0.2681 0.5100 0.2650 0.078 Uiso 1 1 calc R . .
C4 C 0.3631(6) 0.4282(3) 0.1315(4) 0.0631(11) Uani 1 1 d . . .
C5 C 0.2195(7) 0.3974(5) 0.0625(6) 0.097(2) Uani 1 1 d . . .
H3 H 0.2368 0.3379 0.0188 0.146 Uiso 1 1 calc R . .
H5 H 0.1878 0.4472 0.0045 0.146 Uiso 1 1 calc R . .
H4 H 0.1419 0.3872 0.1201 0.146 Uiso 1 1 calc R . .
C6 C 0.5046(6) 0.3969(3) 0.0942(3) 0.0611(11) Uani 1 1 d . . .
H6 H 0.5098 0.3593 0.0230 0.073 Uiso 1 1 calc R . .
C7 C 0.6395(5) 0.4214(3) 0.1629(3) 0.0582(9) Uani 1 1 d . . .
H7 H 0.7321 0.3999 0.1365 0.070 Uiso 1 1 calc R . .
C8 C 0.7754(7) 0.5029(4) 0.3526(5) 0.0866(17) Uani 1 1 d . . .
H11 H 0.7485 0.4956 0.4389 0.104 Uiso 1 1 calc R . .
C9 C 0.8123(12) 0.6082(7) 0.3332(9) 0.151(4) Uani 1 1 d . . .
H8 H 0.8846 0.6138 0.2703 0.226 Uiso 1 1 calc R . .
H9 H 0.8543 0.6355 0.4092 0.226 Uiso 1 1 calc R . .
H10 H 0.7216 0.6428 0.3076 0.226 Uiso 1 1 calc R . .
C10 C 0.9067(8) 0.4357(9) 0.3329(10) 0.165(5) Uani 1 1 d . . .
H14 H 0.9953 0.4595 0.3784 0.248 Uiso 1 1 calc R . .
H12 H 0.9254 0.4332 0.2463 0.248 Uiso 1 1 calc R . .
H13 H 0.8829 0.3716 0.3616 0.248 Uiso 1 1 calc R . .
O10 O 0.5632(4) 0.3319(2) 0.4701(2) 0.0607(7) Uani 1 1 d . . .
C40 C 0.5825(9) 0.2500 0.5187(5) 0.0649(16) Uani 1 2 d S . .
H40 H 0.6156 0.2500 0.6018 0.078 Uiso 1 2 calc SR . .
H41 H 0.584(7) 0.2500 0.249(6) 0.057(17) Uiso 1 2 d S . .


_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 O10 2.095(3) . ?
Ru1 C7 2.156(4) . ?
Ru1 C6 2.168(4) . ?
Ru1 C1 2.172(4) . ?
Ru1 C2 2.191(4) . ?
Ru1 C3 2.197(4) . ?
Ru1 C4 2.198(4) . ?
Ru1 Cl1 2.3948(11) . ?
Ru1 Ru1 2.8393(5) 4_565 ?
Ru1 H41 1.72(3) . ?
Cl1 Ru1 2.3947(11) 4_565 ?
P1 F2 1.480(6) . ?
P1 F6 1.514(5) 4_565 ?
P1 F6 1.514(5) . ?
P1 F1 1.553(4) . ?
P1 F4 1.566(6) . ?
P1 F3 1.572(7) . ?
C1 C7 1.410(5) . ?
C1 C2 1.420(6) . ?
C1 C8 1.520(7) . ?
C2 C3 1.374(6) . ?
C2 H1 0.9300 . ?
C3 C4 1.421(6) . ?
C3 H2 0.9300 . ?
C4 C6 1.402(7) . ?
C4 C5 1.500(7) . ?
C5 H3 0.9600 . ?
C5 H5 0.9600 . ?
C5 H4 0.9600 . ?
C6 C7 1.412(6) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.500(10) . ?
C8 C10 1.506(11) . ?
C8 H11 0.9800 . ?
C9 H8 0.9600 . ?
C9 H9 0.9600 . ?
C9 H10 0.9600 . ?
C10 H14 0.9600 . ?
C10 H12 0.9600 . ?
C10 H13 0.9600 . ?
O10 C40 1.250(3) . ?
C40 O10 1.250(3) 4_565 ?
C40 H40 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 Ru1 C7 117.70(15) . . ?
O10 Ru1 C6 155.76(17) . . ?
C7 Ru1 C6 38.12(17) . . ?
O10 Ru1 C1 90.69(14) . . ?
C7 Ru1 C1 38.02(15) . . ?
C6 Ru1 C1 68.83(15) . . ?
O10 Ru1 C2 92.28(14) . . ?
C7 Ru1 C2 67.68(15) . . ?
C6 Ru1 C2 79.61(15) . . ?
C1 Ru1 C2 37.99(16) . . ?
O10 Ru1 C3 118.03(15) . . ?
C7 Ru1 C3 79.76(17) . . ?
C6 Ru1 C3 67.22(17) . . ?
C1 Ru1 C3 67.79(18) . . ?
C2 Ru1 C3 36.49(17) . . ?
O10 Ru1 C4 155.60(15) . . ?
C7 Ru1 C4 68.47(18) . . ?
C6 Ru1 C4 37.45(18) . . ?
C1 Ru1 C4 81.61(16) . . ?
C2 Ru1 C4 67.50(16) . . ?
C3 Ru1 C4 37.74(17) . . ?
O10 Ru1 Cl1 84.97(10) . . ?
C7 Ru1 Cl1 154.96(12) . . ?
C6 Ru1 Cl1 118.40(13) . . ?
C1 Ru1 Cl1 162.72(12) . . ?
C2 Ru1 Cl1 125.34(12) . . ?
C3 Ru1 Cl1 99.60(13) . . ?
C4 Ru1 Cl1 95.55(13) . . ?
O10 Ru1 Ru1 81.92(8) . 4_565 ?
C7 Ru1 Ru1 115.72(11) . 4_565 ?
C6 Ru1 Ru1 106.02(11) . 4_565 ?
C1 Ru1 Ru1 142.21(12) . 4_565 ?
C2 Ru1 Ru1 174.16(11) . 4_565 ?
C3 Ru1 Ru1 147.00(13) . 4_565 ?
C4 Ru1 Ru1 117.92(11) . 4_565 ?
Cl1 Ru1 Ru1 53.64(2) . 4_565 ?
O10 Ru1 H41 88(2) . . ?
C7 Ru1 H41 83.1(17) . . ?
C6 Ru1 H41 87(2) . . ?
C1 Ru1 H41 109.0(17) . . ?
C2 Ru1 H41 147.0(17) . . ?
C3 Ru1 H41 154(2) . . ?
C4 Ru1 H41 117(2) . . ?
Cl1 Ru1 H41 87.5(17) . . ?
Ru1 Ru1 H41 34.1(17) 4_565 . ?
Ru1 Cl1 Ru1 72.71(4) 4_565 . ?
F2 P1 F6 93.2(4) . 4_565 ?
F2 P1 F6 93.2(4) . . ?
F6 P1 F6 173.5(8) 4_565 . ?
F2 P1 F1 89.4(3) . . ?
F6 P1 F1 90.3(3) 4_565 . ?
F6 P1 F1 90.3(3) . . ?
F2 P1 F4 89.7(4) . . ?
F6 P1 F4 89.7(3) 4_565 . ?
F6 P1 F4 89.7(3) . . ?
F1 P1 F4 179.1(4) . . ?
F2 P1 F3 179.5(4) . . ?
F6 P1 F3 86.8(4) 4_565 . ?
F6 P1 F3 86.8(4) . . ?
F1 P1 F3 91.1(4) . . ?
F4 P1 F3 89.8(5) . . ?
C7 C1 C2 117.6(4) . . ?
C7 C1 C8 123.2(4) . . ?
C2 C1 C8 119.2(4) . . ?
C7 C1 Ru1 70.4(2) . . ?
C2 C1 Ru1 71.7(2) . . ?
C8 C1 Ru1 127.8(3) . . ?
C3 C2 C1 121.4(4) . . ?
C3 C2 Ru1 72.0(2) . . ?
C1 C2 Ru1 70.3(2) . . ?
C3 C2 H1 119.3 . . ?
C1 C2 H1 119.3 . . ?
Ru1 C2 H1 131.4 . . ?
C2 C3 C4 121.5(4) . . ?
C2 C3 Ru1 71.5(2) . . ?
C4 C3 Ru1 71.2(2) . . ?
C2 C3 H2 119.3 . . ?
C4 C3 H2 119.3 . . ?
Ru1 C3 H2 130.8 . . ?
C6 C4 C3 117.7(4) . . ?
C6 C4 C5 121.0(5) . . ?
C3 C4 C5 121.3(5) . . ?
C6 C4 Ru1 70.1(2) . . ?
C3 C4 Ru1 71.1(2) . . ?
C5 C4 Ru1 128.2(3) . . ?
C4 C5 H3 109.5 . . ?
C4 C5 H5 109.5 . . ?
H3 C5 H5 109.5 . . ?
C4 C5 H4 109.5 . . ?
H3 C5 H4 109.5 . . ?
H5 C5 H4 109.5 . . ?
C4 C6 C7 121.0(4) . . ?
C4 C6 Ru1 72.4(2) . . ?
C7 C6 Ru1 70.5(2) . . ?
C4 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
Ru1 C6 H6 130.2 . . ?
C1 C7 C6 120.7(4) . . ?
C1 C7 Ru1 71.6(2) . . ?
C6 C7 Ru1 71.4(2) . . ?
C1 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
Ru1 C7 H7 129.9 . . ?
C9 C8 C10 113.4(7) . . ?
C9 C8 C1 108.1(6) . . ?
C10 C8 C1 113.1(5) . . ?
C9 C8 H11 107.3 . . ?
C10 C8 H11 107.3 . . ?
C1 C8 H11 107.3 . . ?
C8 C9 H8 109.5 . . ?
C8 C9 H9 109.5 . . ?
H8 C9 H9 109.5 . . ?
C8 C9 H10 109.5 . . ?
H8 C9 H10 109.5 . . ?
H9 C9 H10 109.5 . . ?
C8 C10 H14 109.5 . . ?
C8 C10 H12 109.5 . . ?
H14 C10 H12 109.5 . . ?
C8 C10 H13 109.5 . . ?
H14 C10 H13 109.5 . . ?
H12 C10 H13 109.5 . . ?
C40 O10 Ru1 123.9(3) . . ?
O10 C40 O10 128.4(5) 4_565 . ?
O10 C40 H40 115.8 4_565 . ?
O10 C40 H40 115.8 . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        28.35
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.082
