Dibromidotetrakis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
Fa-Qian Liu; Rong-Xun Li; Shao-Xiang Li; Chao-Qin Li; Guang-Ye Liu; Acta Crystallographica Section E 63 (2007) m2437–m2437; doi:10.1107/S1600536807041700

data_2215156
_publ_section_title
;
 Dibromidotetrakis(1-vinyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)copper(II)
;
_journal_coeditor_code           HG2284
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2437
_journal_page_last               m2437
_journal_paper_doi               10.1107/S1600536807041700
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu Br2 (C5 H6 N2)4]'
_chemical_formula_moiety         'C20 H24 Br2 Cu N8'
_chemical_formula_sum            'C20 H24 Br2 Cu N8'
_chemical_formula_weight         599.82
_chemical_name_systematic
;
Dibromidotetrakis(1-vinyl-1H-imidazole-\kN^3^)copper(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 107.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.7280(15)
_cell_length_b                   15.144(3)
_cell_length_c                   11.039(2)
_cell_measurement_reflns_used    2268
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      4
_cell_volume                     1233.9(5)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1K CCD area-detector'
_diffrn_measurement_method       'Thin-slice \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  0.01325
_diffrn_reflns_av_sigmaI/netI    0.0820
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2568
_diffrn_reflns_theta_full        25.96
_diffrn_reflns_theta_max         25.96
_diffrn_reflns_theta_min         2.35
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.146
_exptl_absorpt_correction_T_max  0.659
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             598
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.841
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2416
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1156
_refine_ls_R_factor_gt           0.0651
_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^)+(0.07P)^2^+P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1429
_refine_ls_wR_factor_ref         0.1640
_reflns_number_gt                1446
_reflns_number_total             2416
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2284.cif
_cod_data_source_block           I
_cod_original_cell_volume        1234.0(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215156
_cod_database_fobs_code          2215156