Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2 and Related Compounds
Do Young Kim; Gregory S. Girolami; Inorganic Chemistry 49 (2010) 4942–4948; doi:10.1021/ic1000667

data_4315585
_publ_section_title
;
 Highly Volatile Magnesium Complexes with the Aminodiboranate Anion, a New
 Chelating Borohydride. Synthesis and Characterization of Mg(H3BNMe2BH3)2
 and Related Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4942
_journal_page_last               4948
_journal_paper_doi               10.1021/ic1000667
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C8 H32 B4 Mg N2 O'
_chemical_formula_weight         239.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 111.412(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0103(8)
_cell_length_b                   17.5686(15)
_cell_length_c                   10.5611(8)
_cell_measurement_reflns_used    2343
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.70
_cell_measurement_theta_min      2.32
_cell_volume                     1729.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7358
_diffrn_reflns_theta_full        25.70
_diffrn_reflns_theta_max         25.70
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_type   integration
_exptl_crystal_density_diffrn    0.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         2576
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0455
_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^)+(0.0735P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                1873
_reflns_number_total             2576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1000667_si_003.cif
_cod_data_source_block           ga49fface
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4315585