Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)
Jian, P.; Wang, S.; Suo, J.; Wang, L.; Wu, Q.; Acta Crystallographica Section C 51 (1995) 1071–1073; doi:10.1107/S0108270194011741

data_2003513
_publ_section_title
Azido[2,6-bis(2-benzimidazolyl-<i>N</i>^3^)pyridine-<i>N</i>](methanol)(methanolato)nickel(II)
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1071
_journal_page_last               1073
_journal_paper_doi               10.1107/S0108270194011741
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C21 H20 N8 Ni O2'
_chemical_formula_sum            'C21 H20 N8 Ni O2'
_chemical_formula_weight         475.14
_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_type_scat_source
'International Tables for X-ray Crystallography (1974, Vol. IV)'
_cell_angle_alpha                90
_cell_angle_beta                 98.26(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.668(2)
_cell_length_b                   8.358(2)
_cell_length_c                   25.582(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    289
_cell_measurement_theta_max      14.90
_cell_measurement_theta_min      14.16
_cell_volume                     2045.7(10)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4010
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.896
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.54
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.75
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     289
_refine_ls_number_reflns         2715
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Weighting scheme based on measured esd's w = 1/\s^2^(F~o~)'
_refine_ls_wR_factor_obs         0.065
_reflns_number_observed          2715
_reflns_number_total             3944
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1196.cif
_cod_data_source_block           ab1196a
_cod_original_cell_volume        2046(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003513