<i>cyclo</i>-Tetrakis[μ-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazine(2–)]tetrazinc(II) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Acta Crystallographica Section E 63 (2007) m2180–m2180; doi:10.1107/S1600536807034514

data_2214520
_publ_section_title
;<i>cyclo</i>-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)hydrazine(2--)]tetrazinc(II)
 <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
;
_journal_coeditor_code           BI2214
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2180
_journal_page_last               m2180
_journal_paper_doi               10.1107/S1600536807034514
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn4 (C15 H12 N2 O4)4], 4C3 H7 N O'
_chemical_formula_moiety         'C60 H48 N8 O16 Zn4, 4(C3 H7 N O)'
_chemical_formula_sum            'C72 H76 N12 O20 Zn4'
_chemical_formula_weight         1690.93
_chemical_name_systematic
;
<i>cyclo</i>-Tetrakis[\m-<i>N</i>-(2-hydroxybenzoyl)-<i>N</i>'-(2-hydroxy-3-\
methoxybenzylidene)hydrazine(2-)]tetrazinc(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                   24.1202(10)
_cell_length_b                   24.1202(10)
_cell_length_c                   13.093(2)
_cell_measurement_reflns_used    3529
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.51
_cell_measurement_theta_min      1.69
_cell_volume                     7617.3(12)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0382
_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            19270
_diffrn_reflns_theta_full        25.51
_diffrn_reflns_theta_max         25.51
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.323
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             3488
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.296
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0457
_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^)+(0.076P)^2^+20.3206P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                2249
_reflns_number_total             3529
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2214.cif
_cod_data_source_block           I
_cod_original_cell_volume        7617.2(12)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2214520
_cod_database_fobs_code          2214520