# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_ska-ad-as-589
_database_code_depnum_ccdc_archive 'CCDC 2387230'
loop_
_audit_author_name
_audit_author_address
'SURAJ KUMAR AGRAWALLA'
;NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH
India
;
_audit_update_record             
;
2024-09-27 deposited with the CCDC.	2025-01-24 downloaded from the CCDC.
;
_audit_creation_date             2024-09-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H35 Cl2 P Ru Si'
_chemical_formula_sum            'C30 H35 Cl2 P Ru Si'
_chemical_formula_weight         626.61
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H Si P Ru Cl'
_chemical_oxdiff_usercomment     'light red block'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
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'

_cell_length_a                   9.7686(2)
_cell_length_b                   27.1132(6)
_cell_length_c                   12.3737(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3277.27(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6555
_cell_measurement_temperature    99.98
_cell_measurement_theta_max      75.1420
_cell_measurement_theta_min      4.7930
_shelx_estimated_absorpt_T_max   0.338
_shelx_estimated_absorpt_T_min   0.292
_exptl_absorpt_coefficient_mu    6.292
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Vapour diffusion method'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0679
_diffrn_reflns_av_unetI/netI     0.0612
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14237
_diffrn_reflns_point_group_measured_fraction_full 0.890
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.825
_diffrn_reflns_theta_min         4.812
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.98
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9853
_diffrn_measured_fraction_theta_max 0.8344
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -54.00   3.00   0.50    4.00    --  -38.50  65.00 -49.00  114
  2  ω    -66.00 -23.00   0.50    4.00    --  -38.50 -65.00 174.00   86
  3  ω     73.00  98.00   0.50    4.00    --   49.06  65.00 -49.00   50
  4  ω     32.00  65.00   0.50    4.00    --   49.06 -65.00 174.00   66
  5  ω     68.00 121.00   0.50   16.00    --  106.83 -65.00 174.00  106
  6  ω    112.00 166.00   0.50   16.00    --  106.83  65.00 -49.00  108
  7  ω    -39.00  22.00   0.50    4.00    --  -38.50  37.00-150.00  122
  8  ω     46.00  95.00   0.50    4.00    --   49.06  37.00  30.00   98
  9  ω     29.00  91.00   0.50    4.00    --   49.06-125.00-180.00  124
 10  ω     49.00 109.00   0.50   16.00    --  106.83-125.00-150.00  120
 11  ω     82.00 109.00   0.50   16.00    --  106.83-125.00  90.00   54
 12  ω    108.00 169.00   0.50   16.00    --  106.83  45.00  30.00  122
 13  ω     44.00  78.00   0.50   16.00    --  106.83-125.00  90.00   68
 14  ω     47.00  72.00   0.50   16.00    --  106.83 -94.00  30.00   50
 15  ω     42.00 110.00   0.50   16.00    --  106.83 -45.00 -90.00  136
 16  ω    102.00 152.00   0.50   16.00    --  106.83  61.00-120.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0197046000
_diffrn_orient_matrix_UB_12      0.0453441000
_diffrn_orient_matrix_UB_13      0.1111627000
_diffrn_orient_matrix_UB_21      -0.0420617000
_diffrn_orient_matrix_UB_22      0.0790336000
_diffrn_orient_matrix_UB_23      -0.0558764000
_diffrn_orient_matrix_UB_31      -0.0327212000
_diffrn_orient_matrix_UB_32      -0.1287136000
_diffrn_orient_matrix_UB_33      0.0049146000
_diffrn_oxdiff_ac3_digest_hkl    41dca9d871ac70f080771e58cbdf2df562ac03
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.688
_reflns_Friedel_fraction_full    0.786
_reflns_Friedel_fraction_max     0.723
_reflns_number_gt                5419
_reflns_number_total             5911
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.441
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.158
_refine_ls_abs_structure_details 
;
 Flack x determined using 1896 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.077(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5911
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0746
_refine_ls_restrained_S_all      1.087
_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)+(0.1057P)²+14.9026P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1957
_refine_ls_wR_factor_ref         0.1995
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C5) = Uanis(C4)
3.a Ternary CH refined with riding coordinates:
 Si1(H1), C7(H7)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C13(H13), C14(H14), C15(H15), C16(H16),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26),
  C27(H27), C28(H28)
3.c Idealised Me refined as rotating group:
 C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C10(H10a,H10b,H10c), C29(H29a,H29b,H29c),
 C30(H30a,H30b,H30c)
;
_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 0.81103(7) 0.52737(3) 0.36541(9) 0.0327(3) Uani 1 1 d . . . . .
Cl1 Cl 0.8966(3) 0.59688(12) 0.4656(3) 0.0420(7) Uani 1 1 d . . . . .
Cl2 Cl 1.0144(3) 0.53045(11) 0.2592(3) 0.0386(7) Uani 1 1 d . . . . .
P1 P 0.7258(3) 0.58562(10) 0.2403(2) 0.0288(6) Uani 1 1 d . . . . .
Si1 Si 0.5961(3) 0.66222(12) 0.0222(3) 0.0383(7) Uani 1 1 d . . . . .
H1 H 0.583984 0.671560 0.099779 0.046 Uiso 1 1 calc R U . . .
C1 C 0.8050(12) 0.4449(4) 0.3437(13) 0.044(4) Uani 1 1 d . . . . .
C2 C 0.8681(13) 0.4578(4) 0.4445(10) 0.036(3) Uani 1 1 d . . . . .
H2 H 0.957299 0.445437 0.458757 0.043 Uiso 1 1 calc R U . . .
C3 C 0.8069(11) 0.4872(5) 0.5222(10) 0.035(3) Uani 1 1 d . . . . .
H3 H 0.852453 0.493671 0.588565 0.042 Uiso 1 1 calc R U . . .
C4 C 0.6722(11) 0.5082(5) 0.5015(11) 0.0362(18) Uani 1 1 d . . . . .
C5 C 0.6095(11) 0.4963(5) 0.4023(10) 0.0362(18) Uani 1 1 d . . . . .
H5 H 0.521853 0.509544 0.385931 0.043 Uiso 1 1 calc R U . . .
C6 C 0.6760(13) 0.4643(4) 0.3249(13) 0.042(3) Uani 1 1 d . . . . .
H6 H 0.630018 0.456430 0.259503 0.051 Uiso 1 1 calc R U . . .
C7 C 0.8817(14) 0.4100(5) 0.2644(15) 0.051(3) Uani 1 1 d . . . . .
H7 H 0.956830 0.429375 0.229642 0.061 Uiso 1 1 calc R U . . .
C8 C 0.7896(19) 0.3921(6) 0.1774(16) 0.061(4) Uani 1 1 d . . . . .
H8A H 0.715073 0.372774 0.209229 0.092 Uiso 1 1 calc R U . . .
H8B H 0.841664 0.371343 0.127195 0.092 Uiso 1 1 calc R U . . .
H8C H 0.751442 0.420350 0.138272 0.092 Uiso 1 1 calc R U . . .
C9 C 0.9480(17) 0.3672(6) 0.3271(15) 0.061(4) Uani 1 1 d . . . . .
H9A H 0.999734 0.380314 0.388541 0.091 Uiso 1 1 calc R U . . .
H9B H 1.009985 0.349025 0.279173 0.091 Uiso 1 1 calc R U . . .
H9C H 0.876455 0.344873 0.353549 0.091 Uiso 1 1 calc R U . . .
C10 C 0.6069(17) 0.5414(6) 0.5814(14) 0.055(4) Uani 1 1 d . . . . .
H10A H 0.669730 0.568322 0.599291 0.083 Uiso 1 1 calc R U . . .
H10B H 0.585203 0.522696 0.647027 0.083 Uiso 1 1 calc R U . . .
H10C H 0.522439 0.554995 0.550783 0.083 Uiso 1 1 calc R U . . .
C11 C 0.7166(11) 0.5661(4) 0.0973(11) 0.033(3) Uani 1 1 d . . . . .
C12 C 0.6716(12) 0.5978(4) 0.0133(13) 0.039(3) Uani 1 1 d . . . . .
C13 C 0.6807(11) 0.5799(5) -0.0911(11) 0.035(3) Uani 1 1 d . . . . .
H13 H 0.650424 0.600354 -0.148624 0.042 Uiso 1 1 calc R U . . .
C14 C 0.7319(11) 0.5333(4) -0.1162(9) 0.032(2) Uani 1 1 d . . . . .
H14 H 0.736499 0.522427 -0.189129 0.038 Uiso 1 1 calc R U . . .
C15 C 0.7764(11) 0.5030(4) -0.0319(11) 0.036(2) Uani 1 1 d . . . . .
H15 H 0.812580 0.471174 -0.047060 0.043 Uiso 1 1 calc R U . . .
C16 C 0.7675(11) 0.5194(4) 0.0740(11) 0.033(2) Uani 1 1 d . . . . .
H16 H 0.796635 0.498593 0.131223 0.039 Uiso 1 1 calc R U . . .
C17 C 0.5496(11) 0.6024(4) 0.2785(10) 0.032(2) Uani 1 1 d . . . . .
C18 C 0.4396(12) 0.5897(4) 0.2124(11) 0.035(3) Uani 1 1 d . . . . .
H18 H 0.454524 0.574085 0.144704 0.042 Uiso 1 1 calc R U . . .
C19 C 0.3066(11) 0.6005(4) 0.2475(12) 0.038(3) Uani 1 1 d . . . . .
H19 H 0.230642 0.591866 0.203506 0.045 Uiso 1 1 calc R U . . .
C20 C 0.2852(12) 0.6232(5) 0.3448(11) 0.042(3) Uani 1 1 d . . . . .
H20 H 0.194655 0.630464 0.367770 0.050 Uiso 1 1 calc R U . . .
C21 C 0.3942(14) 0.6357(5) 0.4090(12) 0.043(3) Uani 1 1 d . . . . .
H21 H 0.379322 0.651573 0.476418 0.052 Uiso 1 1 calc R U . . .
C22 C 0.5274(12) 0.6248(4) 0.3751(14) 0.041(3) Uani 1 1 d . . . . .
H22 H 0.602867 0.633169 0.419985 0.049 Uiso 1 1 calc R U . . .
C23 C 0.8274(11) 0.6432(4) 0.2278(12) 0.038(3) Uani 1 1 d . . . . .
C24 C 0.9431(14) 0.6410(5) 0.1621(13) 0.049(3) Uani 1 1 d . . . . .
H24 H 0.962155 0.611636 0.122866 0.059 Uiso 1 1 calc R U . . .
C25 C 1.0294(16) 0.6803(6) 0.1532(16) 0.063(5) Uani 1 1 d . . . . .
H25 H 1.107767 0.677855 0.108091 0.075 Uiso 1 1 calc R U . . .
C26 C 1.0051(18) 0.7232(6) 0.2083(19) 0.072(6) Uani 1 1 d . . . . .
H26 H 1.066622 0.750267 0.203289 0.086 Uiso 1 1 calc R U . . .
C27 C 0.884(2) 0.7262(5) 0.2740(16) 0.072(6) Uani 1 1 d . . . . .
H27 H 0.863409 0.755724 0.312277 0.086 Uiso 1 1 calc R U . . .
C28 C 0.7953(16) 0.6858(5) 0.2814(14) 0.052(4) Uani 1 1 d . . . . .
H28 H 0.713911 0.687934 0.323224 0.063 Uiso 1 1 calc R U . . .
C29 C 0.4248(13) 0.6618(5) -0.0473(15) 0.051(4) Uani 1 1 d . . . . .
H29A H 0.437343 0.654619 -0.124229 0.076 Uiso 1 1 calc R U . . .
H29B H 0.381245 0.694168 -0.039047 0.076 Uiso 1 1 calc R U . . .
H29C H 0.366424 0.636450 -0.014651 0.076 Uiso 1 1 calc R U . . .
C30 C 0.7147(16) 0.7065(6) -0.0443(17) 0.061(4) Uani 1 1 d . . . . .
H30A H 0.733684 0.695499 -0.118163 0.091 Uiso 1 1 calc R U . . .
H30B H 0.800455 0.708161 -0.003365 0.091 Uiso 1 1 calc R U . . .
H30C H 0.672279 0.739281 -0.046235 0.091 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 Cl1 2.406(3) . ?
Ru1 Cl2 2.384(3) . ?
Ru1 P1 2.363(3) . ?
Ru1 C1 2.252(12) . ?
Ru1 C2 2.196(11) . ?
Ru1 C3 2.225(11) . ?
Ru1 C4 2.223(12) . ?
Ru1 C5 2.189(11) . ?
Ru1 C6 2.216(12) . ?
P1 C11 1.849(13) . ?
P1 C17 1.843(12) . ?
P1 C23 1.856(12) . ?
Si1 H1 1.0000 . ?
Si1 C12 1.900(12) . ?
Si1 C29 1.882(13) . ?
Si1 C30 1.860(17) . ?
C1 C2 1.43(2) . ?
C1 C6 1.386(18) . ?
C1 C7 1.56(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.39(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.457(16) . ?
C4 C5 1.409(18) . ?
C4 C10 1.48(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.45(2) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.48(2) . ?
C7 C9 1.54(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
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 C12 1.419(19) . ?
C11 C16 1.389(16) . ?
C12 C13 1.38(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(17) . ?
C14 H14 0.9500 . ?
C14 C15 1.399(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(19) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(17) . ?
C17 C22 1.36(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.400(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.37(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.37(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.398(17) . ?
C22 H22 0.9500 . ?
C23 C24 1.39(2) . ?
C23 C28 1.37(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.363(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.37(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.44(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.40(2) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
Cl2 Ru1 Cl1 88.11(11) . . ?
P1 Ru1 Cl1 86.35(11) . . ?
P1 Ru1 Cl2 84.77(10) . . ?
C1 Ru1 Cl1 148.0(4) . . ?
C1 Ru1 Cl2 89.5(4) . . ?
C1 Ru1 P1 125.2(4) . . ?
C2 Ru1 Cl1 110.8(4) . . ?
C2 Ru1 Cl2 93.7(3) . . ?
C2 Ru1 P1 162.8(4) . . ?
C2 Ru1 C1 37.6(5) . . ?
C2 Ru1 C3 36.5(5) . . ?
C2 Ru1 C4 67.5(5) . . ?
C2 Ru1 C6 65.8(5) . . ?
C3 Ru1 Cl1 86.6(3) . . ?
C3 Ru1 Cl2 120.9(3) . . ?
C3 Ru1 P1 153.1(3) . . ?
C3 Ru1 C1 67.5(5) . . ?
C4 Ru1 Cl1 90.3(4) . . ?
C4 Ru1 Cl2 159.1(3) . . ?
C4 Ru1 P1 115.9(3) . . ?
C4 Ru1 C1 81.0(5) . . ?
C4 Ru1 C3 38.2(4) . . ?
C5 Ru1 Cl1 120.4(4) . . ?
C5 Ru1 Cl2 151.4(4) . . ?
C5 Ru1 P1 94.4(3) . . ?
C5 Ru1 C1 67.6(5) . . ?
C5 Ru1 C2 78.8(5) . . ?
C5 Ru1 C3 67.3(4) . . ?
C5 Ru1 C4 37.2(5) . . ?
C5 Ru1 C6 38.3(5) . . ?
C6 Ru1 Cl1 158.0(4) . . ?
C6 Ru1 Cl2 113.5(4) . . ?
C6 Ru1 P1 99.1(4) . . ?
C6 Ru1 C1 36.1(5) . . ?
C6 Ru1 C3 79.0(5) . . ?
C6 Ru1 C4 68.2(5) . . ?
C11 P1 Ru1 116.9(4) . . ?
C11 P1 C23 100.8(6) . . ?
C17 P1 Ru1 109.1(4) . . ?
C17 P1 C11 105.7(5) . . ?
C17 P1 C23 108.2(5) . . ?
C23 P1 Ru1 115.4(4) . . ?
C12 Si1 H1 109.5 . . ?
C29 Si1 H1 109.5 . . ?
C29 Si1 C12 108.3(6) . . ?
C30 Si1 H1 109.5 . . ?
C30 Si1 C12 109.1(7) . . ?
C30 Si1 C29 110.8(7) . . ?
C2 C1 Ru1 69.1(7) . . ?
C2 C1 C7 119.3(11) . . ?
C6 C1 Ru1 70.5(7) . . ?
C6 C1 C2 116.4(13) . . ?
C6 C1 C7 124.3(14) . . ?
C7 C1 Ru1 131.8(9) . . ?
Ru1 C2 H2 128.3 . . ?
C1 C2 Ru1 73.3(7) . . ?
C1 C2 H2 118.0 . . ?
C3 C2 Ru1 72.9(7) . . ?
C3 C2 C1 123.9(11) . . ?
C3 C2 H2 118.0 . . ?
Ru1 C3 H3 131.0 . . ?
C2 C3 Ru1 70.6(7) . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.5(11) . . ?
C4 C3 Ru1 70.8(7) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 Ru1 70.9(6) . . ?
C3 C4 C10 120.6(12) . . ?
C5 C4 Ru1 70.1(7) . . ?
C5 C4 C3 117.1(12) . . ?
C5 C4 C10 122.3(12) . . ?
C10 C4 Ru1 128.8(10) . . ?
Ru1 C5 H5 128.4 . . ?
C4 C5 Ru1 72.7(6) . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.3(11) . . ?
C6 C5 Ru1 71.9(6) . . ?
C6 C5 H5 119.4 . . ?
Ru1 C6 H6 130.4 . . ?
C1 C6 Ru1 73.3(7) . . ?
C1 C6 C5 121.7(13) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 Ru1 69.8(7) . . ?
C5 C6 H6 119.2 . . ?
C1 C7 H7 107.7 . . ?
C8 C7 C1 111.4(12) . . ?
C8 C7 H7 107.7 . . ?
C8 C7 C9 112.0(12) . . ?
C9 C7 C1 110.1(14) . . ?
C9 C7 H7 107.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P1 122.9(9) . . ?
C16 C11 P1 116.3(10) . . ?
C16 C11 C12 120.6(12) . . ?
C11 C12 Si1 129.4(11) . . ?
C13 C12 Si1 113.7(10) . . ?
C13 C12 C11 116.9(11) . . ?
C12 C13 H13 118.3 . . ?
C12 C13 C14 123.3(12) . . ?
C14 C13 H13 118.3 . . ?
C13 C14 H14 120.7 . . ?
C13 C14 C15 118.6(11) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.7(11) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.8(11) . . ?
C15 C16 H16 119.6 . . ?
C18 C17 P1 120.6(10) . . ?
C22 C17 P1 119.0(8) . . ?
C22 C17 C18 120.3(11) . . ?
C17 C18 H18 120.6 . . ?
C17 C18 C19 118.8(12) . . ?
C19 C18 H18 120.6 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(12) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.1(11) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.8(13) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.4(13) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 P1 116.5(10) . . ?
C28 C23 P1 123.1(11) . . ?
C28 C23 C24 120.3(12) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.0(16) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 119.4 . . ?
C24 C25 C26 121.2(18) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 120.9 . . ?
C25 C26 C27 118.1(13) . . ?
C27 C26 H26 120.9 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.1(17) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 C27 119.2(17) . . ?
C23 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 C11 C12 -178.0(8) . . . . ?
Ru1 P1 C11 C16 -3.3(10) . . . . ?
Ru1 P1 C17 C18 -113.5(9) . . . . ?
Ru1 P1 C17 C22 62.6(10) . . . . ?
Ru1 P1 C23 C24 81.2(11) . . . . ?
Ru1 P1 C23 C28 -97.1(11) . . . . ?
Ru1 C1 C2 C3 55.1(10) . . . . ?
Ru1 C1 C6 C5 -52.6(10) . . . . ?
Ru1 C1 C7 C8 -105.3(14) . . . . ?
Ru1 C1 C7 C9 129.8(13) . . . . ?
Ru1 C2 C3 C4 53.2(10) . . . . ?
Ru1 C3 C4 C5 54.4(10) . . . . ?
Ru1 C3 C4 C10 -124.5(12) . . . . ?
Ru1 C4 C5 C6 55.2(10) . . . . ?
Ru1 C5 C6 C1 54.1(11) . . . . ?
P1 C11 C12 Si1 -6.5(15) . . . . ?
P1 C11 C12 C13 174.7(8) . . . . ?
P1 C11 C16 C15 -174.3(9) . . . . ?
P1 C17 C18 C19 176.0(9) . . . . ?
P1 C17 C22 C21 -176.5(10) . . . . ?
P1 C23 C24 C25 -175.7(11) . . . . ?
P1 C23 C28 C27 175.0(12) . . . . ?
Si1 C12 C13 C14 -179.5(9) . . . . ?
C1 C2 C3 Ru1 -55.3(10) . . . . ?
C1 C2 C3 C4 -2.1(17) . . . . ?
C2 C1 C6 Ru1 53.3(9) . . . . ?
C2 C1 C6 C5 0.7(17) . . . . ?
C2 C1 C7 C8 167.3(12) . . . . ?
C2 C1 C7 C9 42.5(16) . . . . ?
C2 C3 C4 Ru1 -53.1(10) . . . . ?
C2 C3 C4 C5 1.3(17) . . . . ?
C2 C3 C4 C10 -177.6(12) . . . . ?
C3 C4 C5 Ru1 -54.8(9) . . . . ?
C3 C4 C5 C6 0.4(17) . . . . ?
C4 C5 C6 Ru1 -55.6(10) . . . . ?
C4 C5 C6 C1 -1.4(18) . . . . ?
C6 C1 C2 Ru1 -54.0(10) . . . . ?
C6 C1 C2 C3 1.0(17) . . . . ?
C6 C1 C7 C8 -11.3(19) . . . . ?
C6 C1 C7 C9 -136.2(14) . . . . ?
C7 C1 C2 Ru1 127.2(11) . . . . ?
C7 C1 C2 C3 -177.7(11) . . . . ?
C7 C1 C6 Ru1 -128.0(13) . . . . ?
C7 C1 C6 C5 179.4(12) . . . . ?
C10 C4 C5 Ru1 124.1(13) . . . . ?
C10 C4 C5 C6 179.3(12) . . . . ?
C11 P1 C17 C18 13.0(11) . . . . ?
C11 P1 C17 C22 -171.0(10) . . . . ?
C11 P1 C23 C24 -45.6(11) . . . . ?
C11 P1 C23 C28 136.0(12) . . . . ?
C11 C12 C13 C14 -0.5(17) . . . . ?
C12 C11 C16 C15 0.5(17) . . . . ?
C12 C13 C14 C15 0.1(17) . . . . ?
C13 C14 C15 C16 0.6(16) . . . . ?
C14 C15 C16 C11 -0.9(17) . . . . ?
C16 C11 C12 Si1 179.1(9) . . . . ?
C16 C11 C12 C13 0.2(16) . . . . ?
C17 P1 C11 C12 60.4(10) . . . . ?
C17 P1 C11 C16 -124.9(9) . . . . ?
C17 P1 C23 C24 -156.3(10) . . . . ?
C17 P1 C23 C28 25.4(14) . . . . ?
C17 C18 C19 C20 0.3(18) . . . . ?
C18 C17 C22 C21 -0.4(19) . . . . ?
C18 C19 C20 C21 -0.2(19) . . . . ?
C19 C20 C21 C22 -0.2(19) . . . . ?
C20 C21 C22 C17 0.6(19) . . . . ?
C22 C17 C18 C19 0.0(18) . . . . ?
C23 P1 C11 C12 -52.2(10) . . . . ?
C23 P1 C11 C16 122.5(9) . . . . ?
C23 P1 C17 C18 120.3(10) . . . . ?
C23 P1 C17 C22 -63.7(11) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C24 C23 C28 C27 -3(2) . . . . ?
C24 C25 C26 C27 -2(2) . . . . ?
C25 C26 C27 C28 1(3) . . . . ?
C26 C27 C28 C23 2(2) . . . . ?
C28 C23 C24 C25 3(2) . . . . ?

# end Validation Reply Form
_olex2_exptl_crystal_mounting_method 'Mounted on a nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.597
_oxdiff_exptl_absorpt_empirical_full_min 0.665
# start Validation Reply Form
_vrf_PLAT602_ska-ad-as-589       
;
PROBLEM: Solvent Accessible VOID(S) in Structure ........          ! Check 
RESPONSE: There is a highly disorder solvent molecule present in the lattice. 
when masking it, the shift value increases. 
;
_vrf_PLAT987_ska-ad-as-589       
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: No significant twin component found.
;
