Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ<i>N</i>^3^](succinato-κ^2^<i>O</i>,<i>O</i>')zinc(II), a succinate-chelated monomeric compound
Meng, Fa-Yan; Dong, Wu-Heng; Ng, Seik Weng; Acta Crystallographica Section E 63 (2007) m2398–m2399; doi:10.1107/S160053680704055X

data_2214966
_publ_section_title
;Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-\k<i>N</i>^3^](succinato-\k^2^<i>O</i>,<i>O</i>')zinc(II),
 a succinate-chelated monomeric compound
;
_journal_coeditor_code           BG3051
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2398
_journal_page_last               m2399
_journal_paper_doi               10.1107/S160053680704055X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C4 H4 O4) (C20 H14 N4)2]'
_chemical_formula_moiety         'C44 H32 N8 O4 Zn'
_chemical_formula_sum            'C44 H32 N8 O4 Zn'
_chemical_formula_weight         802.15
_chemical_name_systematic
;
Bis[1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-\k<i>N</i>^3^](succinato-\
\k^2^<i>O</i>,<i>O</i>')zinc(II)
;
_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                 109.4110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.453(2)
_cell_length_b                   10.2720(10)
_cell_length_c                   17.587(2)
_cell_measurement_reflns_used    4938
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.3
_cell_volume                     3655.3(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14308
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4186
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+1.7754P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                3354
_reflns_number_total             4186
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3051.cif
_cod_data_source_block           I
_cod_original_cell_volume        3655.2(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214966
_cod_database_fobs_code          2214966