<i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinato(2{-})]tetranickel(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Guan, Guizhi; Gao, Yuxiang; Wang, Lixia; Wang, Tao; Acta Crystallographica Section E 63 (2007) m2662–m2662; doi:10.1107/S1600536807048325

data_2215776
_publ_section_title
;<i>cyclo</i>-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinato(2{-})]tetranickel(II)
 <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
;
_journal_coeditor_code           BI2239
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2662
_journal_page_last               m2662
_journal_paper_doi               10.1107/S1600536807048325
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni4 (C15 H12 N2 O4)4], 4C3 H7 N O'
_chemical_formula_moiety         'C60 H48 N8 Ni4 O16, 4(C3 H7 N O)'
_chemical_formula_sum            'C72 H76 N12 Ni4 O20'
_chemical_formula_weight         1664.29
_chemical_name_systematic
;
<i>cyclo</i>-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-\
methoxybenzylidene)hydrazinato(2-)]tetranickel(II)
<i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.1627(5)
_cell_length_b                   24.1627(10)
_cell_length_c                   13.0428(5)
_cell_measurement_reflns_used    3554
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.63
_cell_measurement_theta_min      1.69
_cell_volume                     7614.9(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19316
_diffrn_reflns_theta_full        25.63
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.053
_exptl_absorpt_correction_T_max  0.742
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3456
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.266
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0789P)^2^+9.3105P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1479
_reflns_number_gt                2243
_reflns_number_total             3554
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2239.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2215776
_cod_database_fobs_code          2215776