Unexpected effect of the ring on the extent of Si⋯H interligand interactions in half-sandwich silyl hydrides of ruthenium
Gutsulyak, Dmitry V.; Osipov, Alexandr L.; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.; Dalton Transactions  (2008) 6843–6850; doi:10.1039/b806447d

data_7004373
_publ_section_title
;
 Unexpected effect of the ring on the extent of Si&#x22EF;H interligand
 interactions in half-sandwich silyl hydrides of ruthenium
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              6843
_journal_page_last               6850
_journal_paper_doi               10.1039/b806447d
_journal_year                    2008
_chemical_formula_moiety         'C19 H32 Cl P Ru Si'
_chemical_formula_sum            'C19 H32 Cl P Ru Si'
_chemical_formula_weight         456.03
_chemical_name_common
;
(cyclopentadienyl)(diisopropylphenylphosphine)(dimethylchloros
ilyl) ruthenium dihydride
;
_chemical_name_systematic
; (cyclopentadienyl)(diisopropylphenylphosphine)(dimethylchlorosilyl)
ruthenium dihydride
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.351(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.7462(1)
_cell_length_b                   16.4554(3)
_cell_length_c                   29.3627(5)
_cell_measurement_reflns_used    9570
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      59.985
_cell_measurement_theta_min      2.331
_cell_volume                     4222.39(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            37465
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.000
_exptl_absorpt_correction_T_max  0.9243
_exptl_absorpt_correction_T_min  0.7148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       yellow
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.759
_refine_diff_density_min         -1.080
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         10680
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+3.1047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                7708
_reflns_number_total             10680
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b806447d.txt
_cod_data_source_block           3e
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7004373