Bis[μ-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']bis[dichloridozinc(II)] <i>N</i>,<i>N</i>'-dimethylformamide disolvate
Cheng, Lin; Zhang, Ya-Wen; Sun, Yan-Yan; Zhang, Gong; Acta Crystallographica Section E 64 (2008) m1236–; doi:10.1107/S1600536808027773

data_2219503
_publ_section_title
;Bis[\m-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']bis[dichloridozinc(II)]
 <i>N</i>,<i>N</i>'-dimethylformamide disolvate
;
_journal_coeditor_code           BT2778
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1236
_journal_paper_doi               10.1107/S1600536808027773
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn2 Cl4 (C12 H14 N4)2], 2C3 H7 N O'
_chemical_formula_moiety         'C24 H28 Cl4 N8 Zn2 , 2C3 H7 N O'
_chemical_formula_sum            'C30 H42 Cl4 N10 O2 Zn2'
_chemical_formula_weight         847.28
_chemical_name_systematic
;Bis[\m-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']bis[dichloridozinc(II)]
<i>N</i>,<i>N</i>'-dimethylformamide
 disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 92.890(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1774(11)
_cell_length_b                   8.5032(12)
_cell_length_c                   27.097(4)
_cell_measurement_reflns_used    781
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.41
_cell_volume                     1881.8(5)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'phi and omega scan'
_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  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            13375
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    1.601
_exptl_absorpt_correction_T_max  0.7401
_exptl_absorpt_correction_T_min  0.5460
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.483
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3659
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0342
_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^)+(0.0445P)^2^+0.1856P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                3215
_reflns_number_total             3659
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2778.cif
_cod_data_source_block           I
_cod_original_cell_volume        1881.8(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219503
_cod_database_fobs_code          2219503