Sodium hydrotris(methimazolyl)borate, a novel soft, tridentate ligand: preparation, structure and comparisons with sodium hydrotris(pyrazolyl)borate †
Reglinski, John; Garner, Mark; Cassidy, Iain D.; Slavin, Paul A.; Spicer, Mark D.; Armstrong, David R.; Journal of the Chemical Society, Dalton Transactions  (1999) 2119–; doi:10.1039/a901703h

data_7027351
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 Sodium hydrotris(methimazolyl)borate, a novel soft, tridentate ligand:
 preparation, structure and comparisons with sodium
 hydrotris(pyrazolyl)borate&#x200A;&#x2020;
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_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2119
_journal_paper_doi               10.1039/a901703h
_journal_year                    1999
_chemical_formula_sum            'C9 H12 B N6 Na O'
_chemical_formula_weight         254.03
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Fri Sep 18 11:16:07 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.508(2)
_cell_length_b                   20.730(3)
_cell_length_c                   7.062(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     1245.5(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.11273
_diffrn_orient_matrix_UB_12      0.01346
_diffrn_orient_matrix_UB_13      -0.00715
_diffrn_orient_matrix_UB_21      -0.03204
_diffrn_orient_matrix_UB_22      -0.04614
_diffrn_orient_matrix_UB_23      -0.01472
_diffrn_orient_matrix_UB_31      -0.00906
_diffrn_orient_matrix_UB_32      -0.00411
_diffrn_orient_matrix_UB_33      0.14066
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
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_diffrn_standards_decay_%        -0.04
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.123
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourlessprism
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             528.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
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_refine_diff_density_min         -0.21
_refine_ls_extinction_coef       21.81855
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.618
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         1212
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0455
_refine_ls_shift/esd_max         0.0080
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0432
_reflns_number_observed          1212
_reflns_number_total             1692
_reflns_observed_criterion       1.00
_cod_data_source_file            901703hsup1.cif
_cod_data_source_block           NaTp
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C9 H12 B N6 Na O '
_cod_database_code               7027351