Niobium/Rhodium Bimetallic Complexes: Synthesis, Structure, and Catalytic Hydrosilylation of Acetophenone and Benzaldehyde
Leelasubcharoen, Somying; Zhizhko, Pavel A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Howard, Judith A. K.; Nikonov, Georgii I.; Organometallics 28 (2009) 4500–; doi:10.1021/om900363r

data_4069700
_publ_section_title
;
 Niobium/Rhodium Bimetallic Complexes: Synthesis, Structure, and Catalytic
 Hydrosilylation of Acetophenone and Benzaldehyde
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4500
_journal_paper_doi               10.1021/om900363r
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C34 H41 Cl N Nb P Rh, 0.5(C6 H14)'
_chemical_formula_sum            'C37 H48 Cl N Nb P Rh'
_chemical_formula_weight         769.00
_chemical_name_systematic
; 
 ? 
;
_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                 98.312(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1766(6)
_cell_length_b                   18.6877(12)
_cell_length_c                   20.1635(12)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.393
_cell_measurement_theta_min      3.129
_cell_volume                     3421.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART-1K'
_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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23855
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  0.9094
_exptl_absorpt_correction_T_min  0.7098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.038
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         8234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0587
_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^)+(0.0240P)^2^+11.7287P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                6317
_reflns_number_total             8234
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om900363r_si_001.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               4069700