<i>catena</i>-Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)cadmium(II)]-μ-[1,2-bis(1<i>H</i>-benzimidazol-2-yl)ethane]-κ^2^<i>N</i>^3^:<i>N</i>^3'^-[(acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)cadmium(II)]-di-μ-chlorido]
Yang, Huai-Xia; Zhang, Jun; Ding, Ya-Nan; Meng, Xiang-Ru; Acta Crystallographica Section E 66 (2010) m578–; doi:10.1107/S1600536810014753

data_2225896
_publ_section_title
;
 <i>catena</i>-Poly[[(acetato-\k^2^<i>O</i>,<i>O</i>')(methanol-\k<i>O</i>)cadmium(II)]-\m-[1,2-bis(1<i>H</i>-benzimidazol-2-yl)ethane]-\k^2^<i>N</i>^3^:<i>N</i>^3'^-[(acetato-\k^2^<i>O</i>,<i>O</i>')(methanol-\k<i>O</i>)cadmium(II)]-di-\m-chlorido]
;
_journal_coeditor_code           HY2299
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m578
_journal_paper_doi               10.1107/S1600536810014753
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Cd2 (C2 H3 O2)2 Cl2 (C16 H14 N4) (C H4 O)2]'
_chemical_formula_moiety         "'C22 H28 Cd2 Cl2 N4 O6"
_chemical_formula_sum            'C22 H28 Cd2 Cl2 N4 O6'
_chemical_formula_weight         740.20
_chemical_name_systematic
;
<i>catena</i>-Poly[[(acetato-\k^2^<i>O</i>,<i>O</i>')(methanol-
\k<i>O</i>)cadmium(II)]-\m-[1,2-bis(1<i>H</i>-benzimidazol-2-yl)ethane]-
\k^2^<i>N</i>^3^:<i>N</i>^3'^-[(acetato-\k^2^<i>O</i>,<i>O</i>')(methanol-
\k<i>O</i>)cadmium(II)]-di-\m-chlorido]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.79(3)
_cell_angle_beta                 98.15(3)
_cell_angle_gamma                90.45(3)
_cell_formula_units_Z            1
_cell_length_a                   7.3983(15)
_cell_length_b                   9.6391(19)
_cell_length_c                   10.228(2)
_cell_measurement_reflns_used    2503
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      2.03
_cell_volume                     716.7(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_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      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn CCD'
_diffrn_measurement_method       \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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8831
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    1.711
_exptl_absorpt_correction_T_max  0.8082
_exptl_absorpt_correction_T_min  0.7482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2006)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             366
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         3396
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0265
_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^)+(0.0236P)^2^+0.3424P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0553
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                3143
_reflns_number_total             3396
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2299.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2225896
_cod_database_fobs_code          2225896