Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(perchlorato-κ<i>O</i>)copper(II) perchlorate dimethylamine disolvate
Zhou, Ying-Xia; Cheng, Guang-Xia; Wu, Ben-Lai; Zhang, Hong-Yun; Acta Crystallographica Section E 63 (2007) m2285–m2286; doi:10.1107/S1600536807037440

data_2214932
_publ_section_title
;Tetrakis(1<i>H</i>-imidazole-\k<i>N</i>^3^)(perchlorato-\k<i>O</i>)copper(II)
 perchlorate dimethylamine disolvate
;
_journal_coeditor_code           AT2354
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2285
_journal_page_last               m2286
_journal_paper_doi               10.1107/S1600536807037440
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (Cl O4) (C3 H4 N2)4] Cl O4 , 2C2 H7 N2'
_chemical_formula_moiety         'C12 H16 Cl Cu N8 O4 + , Cl O4 - , 2C2 H7 N'
_chemical_formula_sum            'C16 H30 Cl2 Cu N10 O8'
_chemical_formula_weight         624.94
_chemical_name_systematic
;
Tetrakis(1H-imidazole-\kN^3^)(perchlorato-\kO)copper(II) perchlorate
dimethylamine 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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.580(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5302(17)
_cell_length_b                   9.2777(10)
_cell_length_c                   20.7248(15)
_cell_measurement_reflns_used    6261
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.54
_cell_volume                     2585.0(5)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'SHELXTL (Sheldrick, 1997b)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21182
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.113
_exptl_absorpt_correction_T_max  0.765
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.317
_exptl_crystal_size_mid          0.289
_exptl_crystal_size_min          0.246
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.871
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0391
_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^)+(0.0615P)^2^+1.869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                4989
_reflns_number_total             6240
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2354.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214932
_cod_database_fobs_code          2214932