Di-μ-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
Rodriguez-Santiago, Alan J; Acosta, Carlos; Raptis, Raphael G.; IUCrData 1 (2016) x161029–; doi:10.1107/S2414314616010294

data_1543658
_publ_section_title
;
 Di-\m-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(II)]
;
_journal_issue                   7
_journal_name_full               IUCrData
_journal_page_first              x161029
_journal_paper_doi               10.1107/S2414314616010294
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Cu2 Br4 (C10 H8 N2 O2)2]'
_chemical_formula_moiety         'C20 H16 Br4 Cu2 N4 O4'
_chemical_formula_sum            'C20 H16 Br4 Cu2 N4 O4'
_chemical_formula_weight         823.09
_chemical_name_systematic
Di-\m-bromido-bis[bromido(4,4'-dihydroxy-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')copper(II)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 91.820(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0636(7)
_cell_length_b                   8.4278(7)
_cell_length_c                   17.2516(14)
_cell_measurement_reflns_used    6190
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      26.3418
_cell_measurement_theta_min      3.3806
_cell_volume                     1171.80(17)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 Quest CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15036
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.470
_diffrn_reflns_theta_min         3.380
_exptl_absorpt_coefficient_mu    8.672
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.53
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2013)
;
_exptl_crystal_colour            'translucent light green-yellow'
_exptl_crystal_density_diffrn    2.333
_exptl_crystal_description       plate
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.253
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.028
_refine_diff_density_max         0.976
_refine_diff_density_min         -0.761
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0229P)^2^+10.5467P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                1936
_reflns_number_total             2414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4018sup1.cif
_cod_data_source_block           I
_cod_database_code               1543658
_shelx_estimated_absorpt_t_min   0.218
_shelx_estimated_absorpt_t_max   0.793
_shelx_hkl_checksum              66205
_shelx_res_checksum              19594
_cod_database_fobs_code 1543658