Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] bis(μ-2,6-pyridinedicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadichloridobismuthate(III)] pentahydrate
Wang, Hong-Wei; Liu, Wan-Lan; Feng, Yu-Quan; Acta Crystallographica Section E 67 (2011) m1651–; doi:10.1107/S1600536811045259

data_2232683
_publ_section_title
;
 Bis[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')chloridocopper(II)]
 bis(\m-2,6-pyridinedicarboxylato)-\k^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;\k^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadichloridobismuthate(III)]
 pentahydrate
;
_journal_coeditor_code           GK2419
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1651
_journal_paper_doi               10.1107/S1600536811045259
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Cu Cl (C10 H8 N2)2]2 [Bi2 Cl4 (C7 H3 N O4)2 (H2 O)2], 5H2 O'
_chemical_formula_moiety
'2(C20 H16 Cl Cu N4 +),C14 H10 Bi2 Cl4 N2 O10 2-, 5(H2 O)'
_chemical_formula_sum            'C54 H52 Bi2 Cl6 Cu2 N10 O15'
_chemical_formula_weight         1838.72
_chemical_name_systematic
;
Bis[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')chloridocopper(II)]
bis(\m-2,6-pyridinedicarboxylato)-
\k^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;
\k^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-
bis[aquadichloridobismuthate(III)] pentahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 110.130(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.880(6)
_cell_length_b                   22.044(6)
_cell_length_c                   13.628(4)
_cell_measurement_reflns_used    8126
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.07
_cell_measurement_theta_min      2.44
_cell_volume                     6454(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16290
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    6.406
_exptl_absorpt_correction_T_max  0.447
_exptl_absorpt_correction_T_min  0.392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3528
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.742
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         5684
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0312P)^2^+11.1454P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                4963
_reflns_number_total             5684
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2419.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2232683
_cod_database_fobs_code          2232683