A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide
Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong; Acta Crystallographica Section E 67 (2011) m624–m625; doi:10.1107/S1600536811014462

data_2230054
_publ_section_title
;
 A dinuclear zinc complex with
 (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide
;
_journal_coeditor_code           JJ2088
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m624
_journal_page_last               m625
_journal_paper_doi               10.1107/S1600536811014462
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn2 (C16 H16 N3 O2)2 (C H O2)2]'
_chemical_formula_moiety         'C34 H34 N6 O8 Zn2'
_chemical_formula_sum            'C34 H34 N6 O8 Zn2'
_chemical_formula_weight         785.41
_chemical_name_systematic
;
bis[\m-(<i>E</i>)-2-({2-[4-
(dimethylamino)benzoyl]hydrazinylidene}methyl)phenolato]bis[formatozinc]
;
_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'
_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                 101.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.556(3)
_cell_length_b                   6.7607(14)
_cell_length_c                   17.085(3)
_cell_measurement_reflns_used    11481
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.95
_cell_measurement_theta_min      6.12
_cell_volume                     1646.8(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 2004)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 2004)'
_computing_data_reduction        'RAPID-AUTO (Rigaku, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick,2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13433
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    1.519
_exptl_absorpt_correction_T_max  0.8881
_exptl_absorpt_correction_T_min  0.8629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3213
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.0838P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                2679
_reflns_number_total             3213
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jj2088.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230054
_cod_database_fobs_code          2230054