Si−N Bond Hydrolysis Furnishes a Planar 4-Coordinate 14-Electron Ru(II) Complex with a Triplet Ground State
Walstrom, Amy; Pink, Maren; Caulton, Kenneth G.; Inorganic Chemistry 45 (2006) 5617–5620; doi:10.1021/ic0601743

data_4332264
_publ_section_title
;
 Si&#x2212;N Bond Hydrolysis Furnishes a Planar 4-Coordinate 14-Electron
 Ru(II) Complex with a Triplet Ground State
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5617
_journal_page_last               5620
_journal_paper_doi               10.1021/ic0601743
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C22 H52 O2 P2 Ru Si2'
_chemical_formula_sum            'C22 H52 O2 P2 Ru Si2'
_chemical_formula_weight         567.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                69.9030(10)
_cell_angle_beta                 83.8810(10)
_cell_angle_gamma                66.5120(10)
_cell_formula_units_Z            1
_cell_length_a                   8.5097(3)
_cell_length_b                   9.3073(3)
_cell_length_c                   10.7481(4)
_cell_measurement_reflns_used    7736
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      30.3
_cell_measurement_theta_min      2.5
_cell_volume                     732.75(5)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2003), XTEL (loc. libr.)'
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
'0.30 degree frames measured for 3 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       \w-scans
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21141
_diffrn_reflns_theta_full        30.54
_diffrn_reflns_theta_max         30.54
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  182
_diffrn_standards_number         87
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  0.8364
_exptl_absorpt_correction_T_min  0.8083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing; 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             302
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.012
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         4482
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+0.3266P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0703
_reflns_number_gt                4140
_reflns_number_total             4482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0601743sup2.cif
_cod_data_source_block           05208
_cod_original_cell_volume        732.75(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332264