#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:29:18 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300766 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/78/7717890.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7717890
loop_
_publ_author_name
'Sahoo, Amiya Kumar'
'Dash, Rageshree'
'Agrawalla, Suraj Kumar'
'Purohit, Chandra Shekhar'
'Doddi, Adinarayana'
_publ_section_title
;
 Cationic and neutral ruthenium(II) complexes bearing silyl-phosphines:
 synthesis, structures, and catalytic studies in selective hydroboration
 of carbonyl compounds.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4312
_journal_page_last               4323
_journal_paper_doi               10.1039/d4dt03550j
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C30 H34 Cl O P Ru Si, 0.75[C6H14]'
_chemical_formula_sum            'C34.5 H44.5 Cl O P Ru Si'
_chemical_formula_weight         670.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-06-13
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-07-04 deposited with the CCDC.	2025-01-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.4670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.7334(2)
_cell_length_b                   8.79540(10)
_cell_length_c                   19.4148(2)
_cell_measurement_reflns_used    28398
_cell_measurement_temperature    100.03
_cell_measurement_theta_max      77.5270
_cell_measurement_theta_min      4.8080
_cell_volume                     3016.06(6)
_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)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.03
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00  29.00   0.50    1.00    --  -38.50  85.00-109.00  190
  2  ω     40.00 135.00   0.50    3.00    --  106.83 -85.00 130.00  190
  3  ω    101.00 174.00   0.50    3.00    --  106.83  85.00-109.00  146
  4  ω   -101.00 -27.00   0.50    1.00    --  -38.50 -57.00 150.00  148
  5  ω   -105.00 -35.00   0.50    1.00    --  -38.50 -38.00 -60.00  140
  6  ω   -108.00 -33.00   0.50    1.00    --  -38.50 -19.00   0.00  150
  7  ω    -17.00  52.00   0.50    1.00    --   49.06 -38.00-180.00  138
  8  ω    -14.00  61.00   0.50    1.00    --   49.06 -57.00  30.00  150
  9  ω     38.00 112.00   0.50    1.00    --   49.06  57.00 -30.00  148
 10  ω    -14.00  61.00   0.50    1.00    --   49.06 -57.00 -90.00  150
 11  ω    -10.00  77.00   0.50    1.00    --   49.06 -85.00 130.00  174
 12  ω    103.00 171.00   0.50    3.00    --  106.83  77.00 -60.00  136
 13  ω     44.00 112.00   0.50    3.00    --  106.83-125.00 150.00  136
 14  ω     39.00 110.00   0.50    3.00    --  106.83 -30.00 150.00  142
 15  ω    103.00 171.00   0.50    3.00    --  106.83  77.00 120.00  136
 16  ω    102.00 171.00   0.50    3.00    --  106.83  45.00-180.00  138
 17  ω    104.00 175.00   0.50    3.00    --  106.83  30.00  60.00  142
 18  ω     44.00 112.00   0.50    3.00    --  106.83-125.00-120.00  136
 19  ω     44.00 120.00   0.50    3.00    --  106.83 -61.00 -30.00  152
 20  ω     39.00 106.00   0.50    3.00    --  106.83 -94.00   0.00  134
 21  ω     94.00 170.00   0.50    3.00    --  106.83  61.00 -90.00  152
 22  ω     39.00 106.00   0.50    3.00    --  106.83 -94.00  90.00  134
 23  ω    102.00 171.00   0.50    3.00    --  106.83  45.00   0.00  138
 24  ω     97.00 170.00   0.50    3.00    --  106.83 125.00 150.00  146
 25  ω     42.00 111.00   0.50    3.00    --  106.83 -45.00-150.00  138
 26  ω     44.00 112.00   0.50    3.00    --  106.83-125.00-150.00  136
 27  ω     39.00 106.00   0.50    3.00    --  106.83 -94.00 -60.00  134
 28  ω     44.00 112.00   0.50    3.00    --  106.83-125.00 -30.00  136
 29  ω     63.00 110.00   0.50    3.00    --  106.83 -30.00-120.00   94
;
_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      -0.0533849000
_diffrn_orient_matrix_UB_12      0.0618996000
_diffrn_orient_matrix_UB_13      -0.0733021000
_diffrn_orient_matrix_UB_21      0.0674946000
_diffrn_orient_matrix_UB_22      0.0795017000
_diffrn_orient_matrix_UB_23      -0.0133780000
_diffrn_orient_matrix_UB_31      0.0143711000
_diffrn_orient_matrix_UB_32      -0.1432656000
_diffrn_orient_matrix_UB_33      -0.0390992000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39265
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.025
_diffrn_reflns_theta_min         4.642
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.104
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55286
_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_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_description       needle
_exptl_crystal_F_000             1398
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'slow vapour diffusion'
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.262
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         6279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0675
_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)+(0.1316P)²+17.6843P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2071
_refine_ls_wR_factor_ref         0.2106
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5920
_reflns_number_total             6279
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03550j2.cif
_cod_data_source_block           ska-ad-as-527
_cod_depositor_comments
'Adding full bibliography for 7717886--7717890.cif.'
_cod_original_formula_sum        'C34.50 H44.50 Cl O P Ru Si'
_cod_database_code               7717890
_shelx_shelxl_version_number     2019/2
_chemical_oxdiff_formula         'C H P O Si Ru Cl'
_chemical_oxdiff_usercomment     'light orange block'
_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.
;
_shelx_estimated_absorpt_t_max   0.406
_shelx_estimated_absorpt_t_min   0.253
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26),
  C27(H27), C28(H28)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C29(H29A,H29B,H29C),
 C30(H30A,H30B,H30C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_exptl_crystal_mounting_method 'Mounted on the 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 2.648
_oxdiff_exptl_absorpt_empirical_full_min 0.435
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.34556(2) 0.25610(4) 0.38482(2) 0.01379(16) Uani 1 1 d . . . . .
Cl1 Cl 0.28007(7) 0.48775(13) 0.39411(6) 0.0231(3) Uani 1 1 d . . . . .
P1 P 0.25512(7) 0.22471(14) 0.26957(7) 0.0144(3) Uani 1 1 d . . . . .
Si1 Si 0.37495(8) 0.51058(15) 0.26892(7) 0.0181(3) Uani 1 1 d . . . . .
O1 O 0.4004(2) 0.3681(4) 0.32304(18) 0.0190(7) Uani 1 1 d . . . . .
C1 C 0.4610(3) 0.1836(6) 0.4581(2) 0.0186(9) Uani 1 1 d . . . . .
C2 C 0.4241(3) 0.0629(5) 0.4106(3) 0.0187(9) Uani 1 1 d . . . . .
H2 H 0.448729 0.014107 0.381071 0.022 Uiso 1 1 calc R U . . .
C3 C 0.3503(3) 0.0153(5) 0.4072(3) 0.0175(9) Uani 1 1 d . . . . .
H3 H 0.325479 -0.061897 0.373485 0.021 Uiso 1 1 calc R U . . .
C4 C 0.3126(3) 0.0802(5) 0.4531(3) 0.0164(9) Uani 1 1 d . . . . .
C5 C 0.3497(3) 0.2043(6) 0.4971(2) 0.0168(9) Uani 1 1 d . . . . .
H5 H 0.324428 0.256717 0.525025 0.020 Uiso 1 1 calc R U . . .
C6 C 0.4232(3) 0.2532(5) 0.5009(3) 0.0198(11) Uani 1 1 d . . . . .
H6 H 0.446920 0.333873 0.532916 0.024 Uiso 1 1 calc R U . . .
C7 C 0.5345(3) 0.2448(6) 0.4549(3) 0.0245(12) Uani 1 1 d . . . . .
H7A H 0.526142 0.292527 0.407232 0.037 Uiso 1 1 calc R U . . .
H7B H 0.570893 0.161462 0.461766 0.037 Uiso 1 1 calc R U . . .
H7C H 0.554429 0.320506 0.493604 0.037 Uiso 1 1 calc R U . . .
C8 C 0.2381(3) 0.0156(6) 0.4541(3) 0.0184(9) Uani 1 1 d . . . . .
H8 H 0.205273 -0.000770 0.402295 0.022 Uiso 1 1 calc R U . . .
C9 C 0.2521(3) -0.1398(6) 0.4917(3) 0.0240(10) Uani 1 1 d . . . . .
H9A H 0.274848 -0.208366 0.465006 0.036 Uiso 1 1 calc R U . . .
H9B H 0.203899 -0.182395 0.492090 0.036 Uiso 1 1 calc R U . . .
H9C H 0.286507 -0.128260 0.542001 0.036 Uiso 1 1 calc R U . . .
C10 C 0.1950(3) 0.1199(6) 0.4898(3) 0.0269(11) Uani 1 1 d . . . . .
H10A H 0.146923 0.072103 0.487098 0.040 Uiso 1 1 calc R U . . .
H10B H 0.185094 0.217501 0.464020 0.040 Uiso 1 1 calc R U . . .
H10C H 0.225530 0.136725 0.541070 0.040 Uiso 1 1 calc R U . . .
C11 C 0.2187(3) 0.4001(6) 0.2182(3) 0.0179(9) Uani 1 1 d . . . . .
C12 C 0.1421(3) 0.4096(6) 0.1744(3) 0.0218(10) Uani 1 1 d . . . . .
H12 H 0.108912 0.326946 0.172595 0.026 Uiso 1 1 calc R U . . .
C13 C 0.1151(3) 0.5392(6) 0.1338(3) 0.0227(10) Uani 1 1 d . . . . .
H13 H 0.063184 0.545704 0.104804 0.027 Uiso 1 1 calc R U . . .
C14 C 0.1627(3) 0.6582(6) 0.1351(3) 0.0256(11) Uani 1 1 d . . . . .
H14 H 0.143759 0.747476 0.107572 0.031 Uiso 1 1 calc R U . . .
C15 C 0.2382(3) 0.6475(6) 0.1768(3) 0.0211(10) Uani 1 1 d . . . . .
H15 H 0.270739 0.730181 0.176671 0.025 Uiso 1 1 calc R U . . .
C16 C 0.2688(3) 0.5188(5) 0.2195(3) 0.0187(9) Uani 1 1 d . . . . .
C17 C 0.2845(3) 0.1193(5) 0.2020(3) 0.0170(9) Uani 1 1 d . . . . .
C18 C 0.3611(3) 0.0850(5) 0.2150(3) 0.0179(9) Uani 1 1 d . . . . .
H18 H 0.398469 0.112812 0.259917 0.021 Uiso 1 1 calc R U . . .
C19 C 0.3817(3) 0.0097(6) 0.1612(3) 0.0214(10) Uani 1 1 d . . . . .
H19 H 0.433328 -0.016178 0.170445 0.026 Uiso 1 1 calc R U . . .
C20 C 0.3291(3) -0.0277(6) 0.0955(3) 0.0202(10) Uani 1 1 d . . . . .
H20 H 0.344368 -0.077933 0.059378 0.024 Uiso 1 1 calc R U . . .
C21 C 0.2528(3) 0.0078(6) 0.0814(3) 0.0207(10) Uani 1 1 d . . . . .
H21 H 0.216227 -0.018007 0.035688 0.025 Uiso 1 1 calc R U . . .
C22 C 0.2305(3) 0.0816(6) 0.1348(3) 0.0196(9) Uani 1 1 d . . . . .
H22 H 0.178727 0.106063 0.125470 0.023 Uiso 1 1 calc R U . . .
C23 C 0.1714(3) 0.1217(6) 0.2729(3) 0.0192(9) Uani 1 1 d . . . . .
C24 C 0.1212(3) 0.1956(7) 0.3002(3) 0.0241(10) Uani 1 1 d . . . . .
H24 H 0.127455 0.300741 0.311915 0.029 Uiso 1 1 calc R U . . .
C25 C 0.0620(3) 0.1159(7) 0.3102(3) 0.0305(12) Uani 1 1 d . . . . .
H25 H 0.027014 0.166809 0.328044 0.037 Uiso 1 1 calc R U . . .
C26 C 0.0534(4) -0.0384(8) 0.2943(4) 0.0379(14) Uani 1 1 d . . . . .
H26 H 0.012489 -0.092439 0.301494 0.045 Uiso 1 1 calc R U . . .
C27 C 0.1035(3) -0.1134(7) 0.2684(3) 0.0325(13) Uani 1 1 d . . . . .
H27 H 0.097249 -0.218863 0.257426 0.039 Uiso 1 1 calc R U . . .
C28 C 0.1636(3) -0.0337(6) 0.2582(3) 0.0241(10) Uani 1 1 d . . . . .
H28 H 0.199189 -0.085212 0.241259 0.029 Uiso 1 1 calc R U . . .
C29 C 0.4068(3) 0.6958(6) 0.3159(3) 0.0276(11) Uani 1 1 d . . . . .
H29A H 0.386762 0.706855 0.356284 0.041 Uiso 1 1 calc R U . . .
H29B H 0.388005 0.779126 0.281045 0.041 Uiso 1 1 calc R U . . .
H29C H 0.462200 0.698614 0.335038 0.041 Uiso 1 1 calc R U . . .
C30 C 0.4170(3) 0.4924(7) 0.1936(3) 0.0270(11) Uani 1 1 d . . . . .
H30A H 0.470944 0.467556 0.214698 0.041 Uiso 1 1 calc R U . . .
H30B H 0.411100 0.588795 0.166927 0.041 Uiso 1 1 calc R U . . .
H30C H 0.390870 0.411440 0.159938 0.041 Uiso 1 1 calc R U . . .
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'
O O 0.0492 0.0322 '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'
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
P1 Ru1 Cl1 86.95(4) . . ?
O1 Ru1 Cl1 90.25(10) . . ?
O1 Ru1 P1 80.94(10) . . ?
O1 Ru1 C1 86.74(15) . . ?
O1 Ru1 C2 94.37(16) . . ?
O1 Ru1 C3 126.07(16) . . ?
O1 Ru1 C4 162.48(16) . . ?
O1 Ru1 C5 144.21(16) . . ?
O1 Ru1 C6 107.92(18) . . ?
C1 Ru1 Cl1 126.66(14) . . ?
C1 Ru1 P1 144.33(14) . . ?
C1 Ru1 C4 80.06(17) . . ?
C2 Ru1 Cl1 162.74(14) . . ?
C2 Ru1 P1 110.19(14) . . ?
C2 Ru1 C1 37.40(19) . . ?
C2 Ru1 C4 68.16(17) . . ?
C2 Ru1 C5 79.30(18) . . ?
C2 Ru1 C6 66.45(19) . . ?
C3 Ru1 Cl1 143.17(13) . . ?
C3 Ru1 P1 92.58(14) . . ?
C3 Ru1 C1 68.17(19) . . ?
C3 Ru1 C2 38.22(18) . . ?
C3 Ru1 C4 37.65(17) . . ?
C3 Ru1 C5 67.17(18) . . ?
C3 Ru1 C6 79.44(18) . . ?
C4 Ru1 Cl1 106.85(13) . . ?
C4 Ru1 P1 103.26(13) . . ?
C5 Ru1 Cl1 87.24(13) . . ?
C5 Ru1 P1 134.46(13) . . ?
C5 Ru1 C1 66.80(17) . . ?
C5 Ru1 C4 37.07(18) . . ?
C5 Ru1 C6 37.3(2) . . ?
C6 Ru1 Cl1 96.31(14) . . ?
C6 Ru1 P1 170.49(14) . . ?
C6 Ru1 C1 36.4(2) . . ?
C6 Ru1 C4 67.25(18) . . ?
C11 P1 Ru1 116.15(16) . . ?
C17 P1 Ru1 116.82(16) . . ?
C17 P1 C11 100.5(2) . . ?
C23 P1 Ru1 112.48(16) . . ?
C23 P1 C11 105.4(2) . . ?
C23 P1 C17 103.9(2) . . ?
O1 Si1 C16 113.2(2) . . ?
O1 Si1 C29 112.7(2) . . ?
O1 Si1 C30 109.4(2) . . ?
C29 Si1 C16 108.9(2) . . ?
C29 Si1 C30 107.8(3) . . ?
C30 Si1 C16 104.4(2) . . ?
Si1 O1 Ru1 130.9(2) . . ?
C2 C1 Ru1 69.2(3) . . ?
C2 C1 C7 119.7(5) . . ?
C6 C1 Ru1 71.5(3) . . ?
C6 C1 C2 118.5(4) . . ?
C6 C1 C7 121.4(5) . . ?
C7 C1 Ru1 125.1(3) . . ?
Ru1 C2 H2 129.5 . . ?
C1 C2 Ru1 73.4(3) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.2(4) . . ?
C3 C2 Ru1 69.6(3) . . ?
C3 C2 H2 119.9 . . ?
Ru1 C3 H3 125.8 . . ?
C2 C3 Ru1 72.2(3) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.8(4) . . ?
C4 C3 Ru1 74.8(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 Ru1 67.6(3) . . ?
C3 C4 C8 120.6(4) . . ?
C5 C4 Ru1 69.5(3) . . ?
C5 C4 C3 116.1(4) . . ?
C5 C4 C8 123.3(4) . . ?
C8 C4 Ru1 134.5(3) . . ?
Ru1 C5 H5 127.2 . . ?
C4 C5 Ru1 73.4(3) . . ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122.5(4) . . ?
C6 C5 Ru1 72.8(3) . . ?
C6 C5 H5 118.8 . . ?
Ru1 C6 H6 130.9 . . ?
C1 C6 Ru1 72.2(3) . . ?
C1 C6 C5 120.6(5) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 Ru1 70.0(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C7 H7A 109.5 . . ?
C1 C7 H7B 109.5 . . ?
C1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8 107.5 . . ?
C4 C8 C9 109.3(4) . . ?
C4 C8 C10 114.2(4) . . ?
C9 C8 H8 107.5 . . ?
C9 C8 C10 110.6(4) . . ?
C10 C8 H8 107.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P1 119.9(4) . . ?
C16 C11 P1 119.3(4) . . ?
C16 C11 C12 120.7(5) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(5) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.5(5) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.5(5) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 118.7 . . ?
C14 C15 C16 122.5(5) . . ?
C16 C15 H15 118.7 . . ?
C11 C16 Si1 124.4(4) . . ?
C11 C16 C15 116.7(5) . . ?
C15 C16 Si1 118.8(4) . . ?
C18 C17 P1 120.8(4) . . ?
C22 C17 P1 119.4(4) . . ?
C22 C17 C18 119.7(4) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.2(5) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.4 . . ?
C20 C19 C18 121.3(5) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.1(5) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.7(5) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 119.9(5) . . ?
C17 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 P1 118.7(4) . . ?
C24 C23 C28 120.0(5) . . ?
C28 C23 P1 120.7(4) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.7(5) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(5) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.5(5) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.6(6) . . ?
C28 C27 H27 120.2 . . ?
C23 C28 C27 119.8(5) . . ?
C23 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
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_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 2.4159(12) . ?
Ru1 P1 2.3295(13) . ?
Ru1 O1 2.070(3) . ?
Ru1 C1 2.248(4) . ?
Ru1 C2 2.193(5) . ?
Ru1 C3 2.158(4) . ?
Ru1 C4 2.253(5) . ?
Ru1 C5 2.202(4) . ?
Ru1 C6 2.239(5) . ?
P1 C11 1.840(5) . ?
P1 C17 1.834(5) . ?
P1 C23 1.831(5) . ?
Si1 O1 1.602(4) . ?
Si1 C16 1.899(5) . ?
Si1 C29 1.865(6) . ?
Si1 C30 1.885(6) . ?
C1 C2 1.425(7) . ?
C1 C6 1.400(8) . ?
C1 C7 1.499(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.425(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.426(7) . ?
C4 C5 1.417(7) . ?
C4 C8 1.513(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.420(8) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8 1.0000 . ?
C8 C9 1.530(7) . ?
C8 C10 1.531(7) . ?
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 1.405(7) . ?
C11 C16 1.399(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.369(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.408(7) . ?
C17 C18 1.404(7) . ?
C17 C22 1.398(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.368(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.397(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.401(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(7) . ?
C23 C28 1.393(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.378(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.373(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.397(7) . ?
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_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 -143.3(3) . . . . ?
Ru1 P1 C11 C16 41.1(4) . . . . ?
Ru1 P1 C17 C18 -11.6(4) . . . . ?
Ru1 P1 C17 C22 172.6(3) . . . . ?
Ru1 P1 C23 C24 73.0(4) . . . . ?
Ru1 P1 C23 C28 -98.0(4) . . . . ?
Ru1 C1 C2 C3 -53.5(4) . . . . ?
Ru1 C1 C6 C5 52.5(4) . . . . ?
Ru1 C2 C3 C4 -58.4(4) . . . . ?
Ru1 C3 C4 C5 -51.5(4) . . . . ?
Ru1 C3 C4 C8 129.5(4) . . . . ?
Ru1 C4 C5 C6 -56.2(4) . . . . ?
Ru1 C4 C8 C9 158.3(4) . . . . ?
Ru1 C4 C8 C10 -77.3(6) . . . . ?
Ru1 C5 C6 C1 -53.5(4) . . . . ?
P1 C11 C12 C13 -177.8(4) . . . . ?
P1 C11 C16 Si1 2.0(6) . . . . ?
P1 C11 C16 C15 177.5(4) . . . . ?
P1 C17 C18 C19 -177.6(4) . . . . ?
P1 C17 C22 C21 176.9(4) . . . . ?
P1 C23 C24 C25 -173.4(4) . . . . ?
P1 C23 C28 C27 173.3(4) . . . . ?
O1 Si1 C16 C11 -11.8(5) . . . . ?
O1 Si1 C16 C15 172.8(4) . . . . ?
C1 C2 C3 Ru1 55.3(4) . . . . ?
C1 C2 C3 C4 -3.1(7) . . . . ?
C2 C1 C6 Ru1 -52.5(4) . . . . ?
C2 C1 C6 C5 0.0(7) . . . . ?
C2 C3 C4 Ru1 57.2(4) . . . . ?
C2 C3 C4 C5 5.7(7) . . . . ?
C2 C3 C4 C8 -173.3(4) . . . . ?
C3 C4 C5 Ru1 50.5(4) . . . . ?
C3 C4 C5 C6 -5.7(7) . . . . ?
C3 C4 C8 C9 70.6(5) . . . . ?
C3 C4 C8 C10 -165.0(4) . . . . ?
C4 C5 C6 Ru1 56.5(4) . . . . ?
C4 C5 C6 C1 3.0(7) . . . . ?
C5 C4 C8 C9 -108.3(5) . . . . ?
C5 C4 C8 C10 16.1(7) . . . . ?
C6 C1 C2 Ru1 53.6(4) . . . . ?
C6 C1 C2 C3 0.1(7) . . . . ?
C7 C1 C2 Ru1 -119.5(4) . . . . ?
C7 C1 C2 C3 -172.9(4) . . . . ?
C7 C1 C6 Ru1 120.4(4) . . . . ?
C7 C1 C6 C5 172.9(4) . . . . ?
C8 C4 C5 Ru1 -130.5(4) . . . . ?
C8 C4 C5 C6 173.3(4) . . . . ?
C11 P1 C17 C18 115.0(4) . . . . ?
C11 P1 C17 C22 -60.8(4) . . . . ?
C11 P1 C23 C24 -54.5(4) . . . . ?
C11 P1 C23 C28 134.5(4) . . . . ?
C11 C12 C13 C14 0.9(7) . . . . ?
C12 C11 C16 Si1 -173.6(4) . . . . ?
C12 C11 C16 C15 1.9(7) . . . . ?
C12 C13 C14 C15 0.6(8) . . . . ?
C13 C14 C15 C16 -1.0(8) . . . . ?
C14 C15 C16 Si1 175.4(4) . . . . ?
C14 C15 C16 C11 -0.3(7) . . . . ?
C16 Si1 O1 Ru1 -32.6(3) . . . . ?
C16 C11 C12 C13 -2.2(7) . . . . ?
C17 P1 C11 C12 89.7(4) . . . . ?
C17 P1 C11 C16 -86.0(4) . . . . ?
C17 P1 C23 C24 -159.8(4) . . . . ?
C17 P1 C23 C28 29.2(5) . . . . ?
C17 C18 C19 C20 1.7(7) . . . . ?
C18 C17 C22 C21 1.0(7) . . . . ?
C18 C19 C20 C21 -0.8(8) . . . . ?
C19 C20 C21 C22 -0.1(8) . . . . ?
C20 C21 C22 C17 0.0(7) . . . . ?
C22 C17 C18 C19 -1.8(7) . . . . ?
C23 P1 C11 C12 -18.1(4) . . . . ?
C23 P1 C11 C16 166.3(4) . . . . ?
C23 P1 C17 C18 -136.0(4) . . . . ?
C23 P1 C17 C22 48.2(4) . . . . ?
C23 C24 C25 C26 1.2(8) . . . . ?
C24 C23 C28 C27 2.4(8) . . . . ?
C24 C25 C26 C27 -0.1(10) . . . . ?
C25 C26 C27 C28 0.2(10) . . . . ?
C26 C27 C28 C23 -1.4(9) . . . . ?
C28 C23 C24 C25 -2.3(8) . . . . ?
C29 Si1 O1 Ru1 91.6(3) . . . . ?
C29 Si1 C16 C11 -138.0(4) . . . . ?
C29 Si1 C16 C15 46.6(5) . . . . ?
C30 Si1 O1 Ru1 -148.5(3) . . . . ?
C30 Si1 C16 C11 107.1(4) . . . . ?
C30 Si1 C16 C15 -68.3(4) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.345 0.000 240.0 75.6 '1.5 C6H14'
2 0.000 -0.103 0.500 240.0 75.6 '1.5 C6H14'
