Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions
Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi; Organometallics 25 (2006) 2903–; doi:10.1021/om0603159

data_4075477
_publ_section_title
;
 Synthesis and Reactivity of a Phosphite&#x2212;Boryl Complex of
 Molybdenum:&#x00A0; Formation of (\h5-C5Me5)Mo(CO)3(BH2&#x00B7;phosphite)
 and Its Mo&#x2212;B, B&#x2212;P, and B&#x2212;H Bond Reactions
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2903
_journal_paper_doi               10.1021/om0603159
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C18 H30 B Mo N2 O4 P '
_chemical_formula_sum            'C18 H30 B Mo N2 O4 P'
_chemical_formula_weight         476.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.371(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2680(2)
_cell_length_b                   14.5460(4)
_cell_length_c                   17.1080(5)
_cell_measurement_temperature    200.2
_cell_measurement_theta_max      28.0
_cell_volume                     2223.87(10)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9938
_diffrn_measured_fraction_theta_max 0.9938
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5534
_diffrn_reflns_theta_full        27.95
_diffrn_reflns_theta_max         27.95
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.68
_refine_ls_extinction_coef       0.014(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.472
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4600
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00270|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0849
_reflns_number_gt                4600
_reflns_number_total             5318
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om0603159si20060415_125049.cif
_cod_data_source_block           A_TEXRAY.INF_file_is_not_p
_cod_original_cell_volume        2223.9(1)
_cod_original_formula_sum        'C18 H30 B Mo N2 O4 P '
_cod_database_code               4075477