[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II)
Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru; Acta Crystallographica Section C 56 (2000) e122–e122; doi:10.1107/S0108270100003255

data_2010850
_publ_section_title
'[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II)'
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e122
_journal_page_last               e122
_journal_paper_doi               10.1107/S0108270100003255
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ni (C28 H22 N2 O2)]'
_chemical_formula_moiety         'C28 H22 N2 Ni O2'
_chemical_formula_sum            'C28 H22 N2 Ni O2'
_chemical_formula_weight         477.19
_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'
_cell_angle_alpha                90
_cell_angle_beta                 106.893(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.517(2)
_cell_length_b                   11.500(3)
_cell_length_c                   16.413(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.2
_cell_volume                     2260.6(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device_type  'Rigaku AFC5'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .026
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5415
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .887
_exptl_absorpt_correction_T_max  .766
_exptl_absorpt_correction_T_min  .658
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .3
_refine_diff_density_max         .47
_refine_diff_density_min         -.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3469
_refine_ls_R_factor_gt           .044
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0502P)^2^+0.2639P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .109
_reflns_number_gt                3469
_reflns_number_total             5182
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0233.cif
_cod_data_source_block           I
_cod_original_cell_volume        2260.7(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010850
_cod_database_fobs_code          2010850