Bis(μ-6-methoxy-2-{[(3-oxidopropyl)imino]methyl}phenolato)nickel(II) methanol monosolvate
Meng, Fan-Kun; Zhang, Xin; Yi, Hua; Zhang, De-Hui; Jia, Jun-Ying; Acta Crystallographica Section E 69 (2013) m425–; doi:10.1107/S1600536813017224

data_2238232
_publ_section_title
;
 Bis(\m-6-methoxy-2-{[(3-oxidopropyl)imino]methyl}phenolato)nickel(II)
 methanol monosolvate
;
_journal_coeditor_code           QM2096
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m425
_journal_paper_doi               10.1107/S1600536813017224
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ni2 (C11 H13 N O3)2], C H4 O'
_chemical_formula_moiety         'C22 H26 N2 Ni2 O6, C H4 O'
_chemical_formula_sum            'C23 H30 N2 Ni2 O7'
_chemical_formula_weight         563.87
_chemical_name_systematic
;
Bis(\m-6-methoxy-2-{[(3-oxidopropyl)imino]methyl}phenolato)nickel(II)
methanol monosolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 113.25(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.673(5)
_cell_length_b                   8.3124(17)
_cell_length_c                   25.546(5)
_cell_measurement_reflns_used    4060
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.01
_cell_volume                     4618.7(19)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2002)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2002)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku SCX-mini'
_diffrn_measurement_method       ' \w  scan'
_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  0.0536
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            19153
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.678
_exptl_absorpt_correction_T_max  0.7090
_exptl_absorpt_correction_T_min  0.6694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2002)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       strip
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.481
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         5257
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+2.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0799
_reflns_number_gt                4285
_reflns_number_total             5257
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            qm2096.cif
_cod_data_source_block           I
_cod_original_cell_volume        4618.6(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238232
_cod_database_fobs_code          2238232