Bis(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')-μ-bromido-1:2κ^2^<i>Br</i>-tribromido-2κ^3^<i>Br</i>-copper(II)mercury(II)
Lee, Yong-Min; Ryu, Hae-Wook; Choi, Sung-Nak; Choi, Jae Soo; Kang, Sung Kwon; Acta Crystallographica Section E 63 (2007) m1952–m1953; doi:10.1107/S160053680702925X

data_2214173
_publ_section_title
Bis(2,2'-bipyridine-1\k^2^<i>N</i>,<i>N</i>')-\m-bromido-1:2\k^2^<i>Br</i>-tribromido-2\k^3^<i>Br</i>-copper(II)mercury(II)
_journal_coeditor_code           DN3049
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1952
_journal_page_last               m1953
_journal_paper_doi               10.1107/S160053680702925X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu Hg Br4 (C10 H8 N2)2]'
_chemical_formula_moiety         'C20 H16 Br4 Cu Hg N4'
_chemical_formula_sum            'C20 H16 Br4 Cu Hg N4'
_chemical_formula_weight         896.14
_chemical_name_systematic
;
Bis(2,2'-bipyridine-1\k^2^N,N')-\-m-bromido-1:2\k^2^Br-tribromido-2\k^3^Br-\
copper(II)mercury(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
_cell_angle_alpha                90
_cell_angle_beta                 92.784(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5510(6)
_cell_length_b                   15.522(4)
_cell_length_c                   18.056(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      11.3
_cell_volume                     2393.7(7)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'non-profiled \w/2\q'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            6320
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.986
_exptl_absorpt_correction_T_max  0.0591
_exptl_absorpt_correction_T_min  0.0501
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.932
_refine_diff_density_min         -1.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4705
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.1609
_refine_ls_R_factor_gt           0.0603
_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^)+(0.0352P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                2406
_reflns_number_total             4705
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn3049.cif
_cod_data_source_block           I
_cod_original_cell_volume        2393.8(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214173
_cod_database_fobs_code          2214173