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_4317956
_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_structural     '[(m-MesB(OH)O)GaMe2]2'
_chemical_formula_sum            'C11 H18 B Ga O2'
_chemical_formula_weight         262.78
_chemical_melting_point          425
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 108.78(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.864(2)
_cell_length_b                   15.785(3)
_cell_length_c                   16.703(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2711.9(10)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2531
_diffrn_reflns_theta_max         74.09
_diffrn_reflns_theta_min         5.13
_exptl_absorpt_coefficient_mu    2.608
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.684
_refine_diff_density_min         -1.753
_refine_diff_density_rms         0.202
_refine_ls_extinction_coef       5399.2773(5029867)
_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_all   1.193
_refine_ls_goodness_of_fit_obs   1.198
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2442
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.248
_refine_ls_restrained_S_obs      1.198
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_obs          0.0731
_refine_ls_shift/esd_max         4.347
_refine_ls_shift/esd_mean        0.165
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1227P)^2^+1.1442P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1728
_refine_ls_wR_factor_obs         0.1651
_reflns_number_observed          2420
_reflns_number_total             2449
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0112490_1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1227P)^2^+1.1442P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1227P)^2^+1.1442P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2711.9(9)
_cod_database_code               4317956