{1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cadmium(II) bis(perchlorate)
Zhen-Ming Zhang; Jian Gao; Tong-Tao Xu; Da-Qi Wang; Acta Crystallographica Section E 62 (2006) m3245–m3246; doi:10.1107/S1600536806046332

data_2211291
_publ_section_title
;{1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-imidazole-\k<i>N</i>^3^}[tris(2-aminoethyl)amine-\k^4^<i>N</i>]cadmium(II)
 bis(perchlorate)
;
_journal_coeditor_code           BI2089
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3245
_journal_page_last               m3246
_journal_paper_doi               10.1107/S1600536806046332
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C22 H17 Cl N2) (C6 H18 N4)] (Cl O4)2'
_chemical_formula_moiety         'C28 H35 Cd Cl1 N6 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C28 H35 Cd Cl3 N6 O8'
_chemical_formula_weight         802.37
_chemical_name_systematic
;
{1-[(2-Chlorophenyl)diphenylmethyl]-1H-imidazole-\kN^3^}[tris(2-
aminoethyl)amine-\k^4^N]cadmium(II) bis(perchlorate)
;
_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                 90.406(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0031(15)
_cell_length_b                   22.004(4)
_cell_length_c                   18.896(4)
_cell_measurement_reflns_used    4966
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.23
_cell_measurement_theta_min      2.16
_cell_volume                     3327.5(11)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17363
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.85
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.769
_exptl_absorpt_correction_T_min  0.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.468
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5875
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0436P)^2^+7.6516P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                4213
_reflns_number_total             5875
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2089.cif
_cod_data_source_block           I
_cod_original_cell_volume        3327.6(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211291
_cod_database_fobs_code          2211291