Reactions of Hydroxymesitylboranes with Metal Alkyls: An Approach to New Sterically Hindered (Metaloxy)mesitylboranes
Romana Anulewicz-Ostrowska; Sergiusz Luliński; Edyta Pindelska; Janusz Serwatowski; Inorganic Chemistry 41 (2002) 2525–2528; doi:10.1021/ic0112490

data_4317957
_publ_contact_author
;
    Sergiusz Lulinski
    Faculty of Chemistry
    Warsaw University of Technology
    Noakowskiego 3,
    PL-00-664 Warsaw
    Poland
;
_publ_contact_author_email       serek@ch.pw.edu.pl
_publ_contact_author_fax         '048 22 6282741'
_publ_contact_author_phone       '048 22 6607575'
_publ_section_title
;
 Reactions of Hydroxymesitylboranes with Metal Alkyls: An Approach to New
 Sterically Hindered (Metaloxy)mesitylboranes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2525
_journal_page_last               2528
_journal_paper_doi               10.1021/ic0112490
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         '[(m-Mes2BO)ZnEt]2(C6H5CH3)'
_chemical_formula_sum            'C47 H54 B2 O2 Zn2'
_chemical_formula_weight         803.26
_chemical_melting_point          415
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 117.83(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.020(3)
_cell_length_b                   10.740(2)
_cell_length_c                   15.650(3)
_cell_measurement_reflns_used    4300
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     2232.6(10)
_computing_cell_refinement       KUMA4RED
_computing_data_collection       KUMA4CCD
_computing_data_reduction        KUMA4RED
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 1K
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  KUMA4CCD
_diffrn_measurement_method       omega
_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  0.1107
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23919
_diffrn_reflns_theta_full        21.00
_diffrn_reflns_theta_max         21.00
_diffrn_reflns_theta_min         3.31
_diffrn_standards_decay_%        3
_diffrn_standards_interval_count '50 frames'
_diffrn_standards_number         1frame
_exptl_absorpt_coefficient_mu    1.108
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.549
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       0.0000(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         2381
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0901
_refine_ls_shift/su_max          2.879
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2500
_refine_ls_wR_factor_ref         0.2729
_reflns_number_gt                1848
_reflns_number_total             2381
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0112490_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2232.6(8)
_cod_database_code               4317957