##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_global
_audit_creation_method     'SHELXL-97'
_journal_date_recd_electronic     2010-04-13
_journal_date_accepted     2010-04-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      5
_journal_page_first     m578
_journal_page_last     m578
_journal_paper_category     QM
_journal_coeditor_code     HY2299
_publ_contact_author_name     'Prof. Huai-Xia Yang'
_publ_contact_author_address
;
 Pharmacy College
 Henan University of Traditional Chinese Medicine
 Zhengzhou 450008
 People's Republic of China
;
_publ_contact_author_email     'yanghuaixia888@163.com'
_publ_contact_author_fax     '86 371 65962546'
_publ_contact_author_phone     '86 371 65962746'
_publ_section_title
;\
catena-Poly[[(acetato-κ²O,O')(methanol-κO)\
cadmium(II)]-μ-[1,2-bis(1H-benzimidazol-2-yl)ethane]-\
κ²N³:N^3'^-[(acetato-κ²O,O')(methanol-\
κO)cadmium(II)]-di-μ-chlorido]
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Huai-Xia Yang' ?
;
 Pharmacy College
 Henan University of Traditional Chinese Medicine
 Zhengzhou 450008
 People's Republic of China
;
    'Jun Zhang' ?
;
 Department of Chemistry
 Zhengzhou University
 Zhengzhou 450052
 People's Republic of China
;
    'Ya-Nan Ding' ?
;
 Department of Chemistry
 Zhengzhou University
 Zhengzhou 450052
 People's Republic of China
;
    'Xiang-Ru Meng' ?
;
 Department of Chemistry
 Zhengzhou University
 Zhengzhou 450052
 People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
catena-Poly[[(acetato-κ²O,O')(methanol-
κO)cadmium(II)]-μ-[1,2-bis(1H-benzimidazol-2-yl)ethane]-
κ²N³:N^3'^-[(acetato-κ²O,O')(methanol-
κO)cadmium(II)]-di-μ-chlorido]
;
_chemical_name_common     ?
_chemical_formula_moiety     ''C22 H28 Cd2 Cl2 N4 O6'
_chemical_formula_sum     'C22 H28 Cd2 Cl2 N4 O6'
_chemical_formula_iupac     '[Cd2 (C2 H3 O2)2 Cl2 (C16 H14 N4) (C H4 O)2]'
_chemical_formula_weight     740.20
_chemical_melting_point     ?
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     7.3983(15)
_cell_length_b     9.6391(19)
_cell_length_c     10.228(2)
_cell_angle_alpha     96.79(3)
_cell_angle_beta     98.15(3)
_cell_angle_gamma     90.45(3)
_cell_volume     716.7(3)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     2503
_cell_measurement_theta_min     2.03
_cell_measurement_theta_max     27.85
_cell_measurement_temperature     293(2)
_exptl_crystal_description     Prism
_exptl_crystal_colour     Colorless
_exptl_crystal_size_max     0.18
_exptl_crystal_size_mid     0.16
_exptl_crystal_size_min     0.13
_exptl_crystal_density_diffrn     1.715
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     366
_exptl_absorpt_coefficient_mu     1.711
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(CrystalClear; Rigaku/MSC, 2006)'
_exptl_absorpt_correction_T_min     0.7482
_exptl_absorpt_correction_T_max     0.8082
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku Saturn CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     28.5714
_diffrn_reflns_number     8831
_diffrn_reflns_av_R_equivalents     0.0239
_diffrn_reflns_av_sigmaI/netI     0.0269
_diffrn_reflns_theta_min     3.11
_diffrn_reflns_theta_max     27.87
_diffrn_reflns_theta_full     27.87
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     13
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_reflns_number_total     3396
_reflns_number_gt     3143
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0300
_refine_ls_R_factor_gt     0.0265
_refine_ls_wR_factor_gt     0.0553
_refine_ls_wR_factor_ref     0.0572
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_restrained_S_all     1.050
_refine_ls_number_reflns     3396
_refine_ls_number_parameters     163
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0236P)²+0.3424P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.508
_refine_diff_density_min     -0.374
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku/MSC, 2006)'
_computing_cell_refinement     'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction     'CrystalClear (Rigaku/MSC, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cd Cd1 0.64998(2) 0.967293(18) 0.872095(16) 0.03484(6) Uani d . 1 . .
    Cl Cl1 0.63872(9) 0.88042(7) 1.09623(6) 0.04316(14) Uani d . 1 . .
    N N1 0.4927(3) 0.82344(19) 0.70445(18) 0.0317(4) Uani d . 1 . .
    N N2 0.3205(3) 0.7493(2) 0.51282(19) 0.0371(4) Uani d . 1 . .
    H H2A 0.2596 0.7510 0.4349 0.045 Uiso calc R 1 . .
    O O1 0.8449(2) 1.1502(2) 0.94761(18) 0.0490(4) Uani d . 1 . .
    O O2 0.7646(3) 1.1554(2) 0.73532(18) 0.0539(5) Uani d . 1 . .
    O O3 0.8976(2) 0.8247(2) 0.84264(18) 0.0534(5) Uani d . 1 . .
    H H3B 0.9727 0.8331 0.9104 0.064 Uiso d R 1 . .
    C C1 0.4503(3) 0.6812(2) 0.7024(2) 0.0334(5) Uani d . 1 . .
    C C2 0.4968(4) 0.5910(3) 0.7977(3) 0.0507(7) Uani d . 1 . .
    H H2B 0.5683 0.6214 0.8785 0.061 Uiso calc R 1 . .
    C C3 0.4331(5) 0.4555(3) 0.7678(4) 0.0632(9) Uani d . 1 . .
    H H3A 0.4624 0.3927 0.8295 0.076 Uiso calc R 1 . .
    C C4 0.3255(5) 0.4095(3) 0.6473(4) 0.0623(9) Uani d . 1 . .
    H H4A 0.2849 0.3167 0.6308 0.075 Uiso calc R 1 . .
    C C5 0.2775(4) 0.4969(3) 0.5522(3) 0.0527(7) Uani d . 1 . .
    H H5A 0.2052 0.4660 0.4718 0.063 Uiso calc R 1 . .
    C C6 0.3430(3) 0.6343(2) 0.5826(2) 0.0368(5) Uani d . 1 . .
    C C7 0.4119(3) 0.8581(2) 0.5898(2) 0.0309(4) Uani d . 1 . .
    C C8 0.4232(3) 0.9973(2) 0.5432(2) 0.0341(5) Uani d . 1 . .
    H H8A 0.4464 1.0686 0.6192 0.041 Uiso calc R 1 . .
    H H8B 0.3076 1.0166 0.4917 0.041 Uiso calc R 1 . .
    C C9 0.8471(3) 1.2083(3) 0.8436(3) 0.0405(5) Uani d . 1 . .
    C C10 0.9492(5) 1.3457(3) 0.8554(4) 0.0669(9) Uani d . 1 . .
    H H10A 0.9396 1.3780 0.7695 0.100 Uiso calc R 1 . .
    H H10B 1.0754 1.3337 0.8886 0.100 Uiso calc R 1 . .
    H H10C 0.8977 1.4130 0.9156 0.100 Uiso calc R 1 . .
    C C11 0.9830(5) 0.8087(5) 0.7288(3) 0.0873(13) Uani d . 1 . .
    H H11A 1.0811 0.7447 0.7404 0.131 Uiso calc R 1 . .
    H H11B 1.0306 0.8976 0.7142 0.131 Uiso calc R 1 . .
    H H11C 0.8960 0.7727 0.6534 0.131 Uiso calc R 1 . .
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cd1 N1 . 2.250(2) ?
    Cd1 O1 . 2.260(2) ?
    Cd1 O3 . 2.3307(19) ?
    Cd1 Cl1 . 2.5438(8) ?
    Cd1 O2 . 2.622(2) ?
    Cd1 Cl1 2_677 2.6372(10) ?
    Cl1 Cd1 2_677 2.6372(10) ?
    N1 C7 . 1.319(3) ?
    N1 C1 . 1.401(3) ?
    N2 C7 . 1.349(3) ?
    N2 C6 . 1.387(3) ?
    N2 H2A . 0.8600 ?
    O1 C9 . 1.262(3) ?
    O2 C9 . 1.236(3) ?
    O3 C11 . 1.395(4) ?
    O3 H3B . 0.8200 ?
    C1 C6 . 1.387(3) ?
    C1 C2 . 1.391(3) ?
    C2 C3 . 1.370(4) ?
    C2 H2B . 0.9300 ?
    C3 C4 . 1.391(5) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.373(4) ?
    C4 H4A . 0.9300 ?
    C5 C6 . 1.391(3) ?
    C5 H5A . 0.9300 ?
    C7 C8 . 1.482(3) ?
    C8 C8 2_676 1.539(4) ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C10 . 1.503(4) ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C10 H10C . 0.9600 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N1 Cd1 O1 . . 151.13(7) ?
    N1 Cd1 O3 . . 86.00(7) ?
    O1 Cd1 O3 . . 89.72(7) ?
    N1 Cd1 Cl1 . . 111.71(5) ?
    O1 Cd1 Cl1 . . 96.76(5) ?
    O3 Cd1 Cl1 . . 89.40(6) ?
    N1 Cd1 O2 . . 99.39(6) ?
    O1 Cd1 O2 . . 52.27(6) ?
    O3 Cd1 O2 . . 92.78(7) ?
    Cl1 Cd1 O2 . . 148.90(5) ?
    N1 Cd1 Cl1 . 2_677 92.23(6) ?
    O1 Cd1 Cl1 . 2_677 92.53(6) ?
    O3 Cd1 Cl1 . 2_677 177.71(5) ?
    Cl1 Cd1 Cl1 . 2_677 89.91(3) ?
    O2 Cd1 Cl1 . 2_677 88.94(5) ?
    Cd1 Cl1 Cd1 . 2_677 90.09(3) ?
    C7 N1 C1 . . 105.53(18) ?
    C7 N1 Cd1 . . 126.73(15) ?
    C1 N1 Cd1 . . 127.64(15) ?
    C7 N2 C6 . . 107.29(19) ?
    C7 N2 H2A . . 126.4 ?
    C6 N2 H2A . . 126.4 ?
    C9 O1 Cd1 . . 101.50(15) ?
    C9 O2 Cd1 . . 84.98(16) ?
    C11 O3 Cd1 . . 125.0(2) ?
    C11 O3 H3B . . 111.3 ?
    Cd1 O3 H3B . . 110.3 ?
    C6 C1 C2 . . 120.6(2) ?
    C6 C1 N1 . . 108.9(2) ?
    C2 C1 N1 . . 130.5(2) ?
    C3 C2 C1 . . 117.3(3) ?
    C3 C2 H2B . . 121.3 ?
    C1 C2 H2B . . 121.3 ?
    C2 C3 C4 . . 121.6(3) ?
    C2 C3 H3A . . 119.2 ?
    C4 C3 H3A . . 119.2 ?
    C5 C4 C3 . . 122.0(3) ?
    C5 C4 H4A . . 119.0 ?
    C3 C4 H4A . . 119.0 ?
    C4 C5 C6 . . 116.2(3) ?
    C4 C5 H5A . . 121.9 ?
    C6 C5 H5A . . 121.9 ?
    C1 C6 N2 . . 105.83(19) ?
    C1 C6 C5 . . 122.2(2) ?
    N2 C6 C5 . . 132.0(2) ?
    N1 C7 N2 . . 112.48(19) ?
    N1 C7 C8 . . 125.8(2) ?
    N2 C7 C8 . . 121.7(2) ?
    C7 C8 C8 . 2_676 110.6(2) ?
    C7 C8 H8A . . 109.5 ?
    C8 C8 H8A 2_676 . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    C8 C8 H8B 2_676 . 109.5 ?
    H8A C8 H8B . . 108.1 ?
    O2 C9 O1 . . 121.1(2) ?
    O2 C9 C10 . . 120.8(3) ?
    O1 C9 C10 . . 118.1(2) ?
    C9 C10 H10A . . 109.5 ?
    C9 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C9 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    O3 C11 H11A . . 109.5 ?
    O3 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    O3 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 Cd1 Cl1 Cd1 . . . 2_677 -92.37(6) ?
    O1 Cd1 Cl1 Cd1 . . . 2_677 92.53(6) ?
    O3 Cd1 Cl1 Cd1 . . . 2_677 -177.82(5) ?
    O2 Cd1 Cl1 Cd1 . . . 2_677 87.79(10) ?
    Cl1 Cd1 Cl1 Cd1 2_677 . . 2_677 0.0 ?
    O1 Cd1 N1 C7 . . . . -38.2(3) ?
    O3 Cd1 N1 C7 . . . . -120.30(19) ?
    Cl1 Cd1 N1 C7 . . . . 151.94(17) ?
    O2 Cd1 N1 C7 . . . . -28.1(2) ?
    Cl1 Cd1 N1 C7 2_677 . . . 61.15(19) ?
    O1 Cd1 N1 C1 . . . . 146.09(18) ?
    O3 Cd1 N1 C1 . . . . 63.97(19) ?
    Cl1 Cd1 N1 C1 . . . . -23.78(19) ?
    O2 Cd1 N1 C1 . . . . 156.13(18) ?
    Cl1 Cd1 N1 C1 2_677 . . . -114.58(18) ?
    N1 Cd1 O1 C9 . . . . 14.9(3) ?
    O3 Cd1 O1 C9 . . . . 96.11(17) ?
    Cl1 Cd1 O1 C9 . . . . -174.53(16) ?
    O2 Cd1 O1 C9 . . . . 2.38(15) ?
    Cl1 Cd1 O1 C9 2_677 . . . -84.32(16) ?
    N1 Cd1 O2 C9 . . . . -176.28(15) ?
    O1 Cd1 O2 C9 . . . . -2.39(15) ?
    O3 Cd1 O2 C9 . . . . -89.88(16) ?
    Cl1 Cd1 O2 C9 . . . . 3.6(2) ?
    Cl1 Cd1 O2 C9 2_677 . . . 91.64(16) ?
    N1 Cd1 O3 C11 . . . . 64.7(3) ?
    O1 Cd1 O3 C11 . . . . -86.7(3) ?
    Cl1 Cd1 O3 C11 . . . . 176.5(3) ?
    O2 Cd1 O3 C11 . . . . -34.5(3) ?
    C7 N1 C1 C6 . . . . 0.3(3) ?
    Cd1 N1 C1 C6 . . . . 176.73(15) ?
    C7 N1 C1 C2 . . . . -178.9(3) ?
    Cd1 N1 C1 C2 . . . . -2.5(4) ?
    C6 C1 C2 C3 . . . . 0.2(4) ?
    N1 C1 C2 C3 . . . . 179.4(3) ?
    C1 C2 C3 C4 . . . . -0.2(5) ?
    C2 C3 C4 C5 . . . . 0.0(5) ?
    C3 C4 C5 C6 . . . . 0.2(4) ?
    C2 C1 C6 N2 . . . . 179.1(2) ?
    N1 C1 C6 N2 . . . . -0.2(3) ?
    C2 C1 C6 C5 . . . . 0.0(4) ?
    N1 C1 C6 C5 . . . . -179.3(2) ?
    C7 N2 C6 C1 . . . . 0.1(3) ?
    C7 N2 C6 C5 . . . . 179.0(3) ?
    C4 C5 C6 C1 . . . . -0.2(4) ?
    C4 C5 C6 N2 . . . . -179.0(3) ?
    C1 N1 C7 N2 . . . . -0.2(3) ?
    Cd1 N1 C7 N2 . . . . -176.73(14) ?
    C1 N1 C7 C8 . . . . -177.4(2) ?
    Cd1 N1 C7 C8 . . . . 6.1(3) ?
    C6 N2 C7 N1 . . . . 0.1(3) ?
    C6 N2 C7 C8 . . . . 177.4(2) ?
    N1 C7 C8 C8 . . . 2_676 94.0(3) ?
    N2 C7 C8 C8 . . . 2_676 -82.9(3) ?
    Cd1 O2 C9 O1 . . . . 3.9(2) ?
    Cd1 O2 C9 C10 . . . . -174.6(3) ?
    Cd1 O1 C9 O2 . . . . -4.7(3) ?
    Cd1 O1 C9 C10 . . . . 173.9(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    N2 H2A O2 2_676 0.86 2.04 2.791(3) 145 y
    O3 H3B O1 2_777 0.82 1.83 2.646(3) 175 y
