Bis[μ-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]
Zhao, Dian-Ying; Acta Crystallographica Section E 66 (2010) m430–; doi:10.1107/S1600536810009505

data_2225655
_publ_section_title
;
 Bis[\m-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)-\k^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato-\k^2^<i>O</i>,<i>O</i>')cadmium(II)]
;
_journal_coeditor_code           LX2137
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m430
_journal_paper_doi               10.1107/S1600536810009505
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cd2 (C8 H7 O3)4 (C20 H22 N4 O)2]'
_chemical_formula_moiety         'C72 H72 Cd2 N8 O14'
_chemical_formula_sum            'C72 H72 Cd2 N8 O14'
_chemical_formula_weight         1498.18
_chemical_name_systematic
;
Bis[\m-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)-
\k^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato-
\k^2^<i>O</i>,<i>O</i>')cadmium(II)]
;
_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                88.143(4)
_cell_angle_beta                 86.539(4)
_cell_angle_gamma                74.863(4)
_cell_formula_units_Z            1
_cell_length_a                   9.0379(5)
_cell_length_b                   13.8130(8)
_cell_length_c                   13.9361(6)
_cell_measurement_reflns_used    4356
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      2.8
_cell_volume                     1676.11(16)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.831
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w 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  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0924
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12519
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis CCD; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.849
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7555
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.849
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/su_max_lt       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^)+(0.0113P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                4356
_reflns_number_total             7555
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lx2137.cif
_cod_data_source_block           I
_cod_original_cell_volume        1676.11(15)
_cod_database_code               2225655
_cod_database_fobs_code          2225655