<i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinate(2–)]tetracobalt(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang; Acta Crystallographica Section E 63 (2007) m2128–m2128; doi:10.1107/S1600536807033338

data_2214510
_publ_section_title
;<i>cyclo</i>-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazinate(2--)]tetracobalt(II)
 <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
;
_journal_coeditor_code           BI2200
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2128
_journal_page_last               m2128
_journal_paper_doi               10.1107/S1600536807033338
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co4 (C15 H12 N2 O4)4], 4C3 H7 N O'
_chemical_formula_moiety         'C60 H48 Co4 N8 O16, 4(C3 H7 N O)'
_chemical_formula_sum            'C72 H76 Co4 N12 O20'
_chemical_formula_weight         1665.17
_chemical_name_systematic
;
cyclo-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-\
methoxybenzylidene)hydrazinate(2-)]tetracobalt(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
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.996(2)
_cell_length_b                   23.996(2)
_cell_length_c                   13.1605(10)
_cell_measurement_reflns_used    3308
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.70
_cell_volume                     7577.9(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18342
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.70
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.940
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             3440
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0407
_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^)+(0.0641P)^2^+15.4281P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1356
_reflns_number_gt                2180
_reflns_number_total             3308
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2200.cif
_cod_data_source_block           I
_cod_original_cell_volume        7578.0(11)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2214510
_cod_database_fobs_code          2214510