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_7027350
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_publ_section_title
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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            'C12 H16 B N6 Na O3 S3'
_chemical_formula_weight         422.28
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Sep 18 11:32:23 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                83.55(1)
_cell_angle_beta                 78.08(2)
_cell_angle_gamma                72.65(1)
_cell_formula_units_Z            2
_cell_length_a                   9.962(2)
_cell_length_b                   14.790(2)
_cell_length_c                   8.217(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      31.9
_cell_measurement_theta_min      26.3
_cell_volume                     1129.0(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      296.2
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.09389
_diffrn_orient_matrix_UB_12      0.01241
_diffrn_orient_matrix_UB_13      0.07856
_diffrn_orient_matrix_UB_21      0.00367
_diffrn_orient_matrix_UB_22      0.06562
_diffrn_orient_matrix_UB_23      0.01279
_diffrn_orient_matrix_UB_31      -0.05110
_diffrn_orient_matrix_UB_32      0.02393
_diffrn_orient_matrix_UB_33      -0.09582
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.37
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5227
_diffrn_reflns_theta_max         26.99
_diffrn_standards_decay_%        -2.34
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.369
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourlesstabular
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       tabular
_exptl_crystal_F_000             436.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.49
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.449
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         2299
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0712
_refine_ls_shift/esd_max         1.3850
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0914
_reflns_number_observed          2299
_reflns_number_total             4935
_reflns_observed_criterion       3.00
_cod_data_source_file            901703hsup1.cif
_cod_data_source_block           NaTm
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C12 H16 B N6 Na O3 S3 '
_cod_database_code               7027350