Di-μ~2~-chlorido-bis[aqua(2,2'-bipyridine-4,4'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)copper(II)]
Han, Ke-Fei; Wu, Hui-Yong; Wang, Zhong-Ming; Guo, Hong-You; Acta Crystallographica Section E 64 (2008) m1607–m1608; doi:10.1107/S1600536808028511

data_2220322
_publ_section_title
;
 Di-\m~2~-chlorido-bis[aqua(2,2'-bipyridine-4,4'-dicarboxylic
 acid-\k^2^<i>N</i>,<i>N</i>')(nitrato-\k<i>O</i>)copper(II)]
;
_journal_coeditor_code           RT2020
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1607
_journal_page_last               m1608
_journal_paper_doi               10.1107/S1600536808028511
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 Cl2 (N O3)2 (C12 H8 N2 O4)2 (H2 O)2]'
_chemical_formula_moiety         'C24 H20 Cl2 Cu2 N6 O16'
_chemical_formula_sum            'C24 H20 Cl2 Cu2 N6 O16'
_chemical_formula_weight         846.46
_chemical_name_systematic
;
Di-\m~2~-chlorido-bis[aqua(2,2'-bipyridine-4,4'-dicarboxylic
acid-\k^2^<i>N</i>,<i>N</i>')(nitrato-\k<i>O</i>)copper(II)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.315(2)
_cell_angle_beta                 103.384(4)
_cell_angle_gamma                98.556(3)
_cell_formula_units_Z            1
_cell_length_a                   6.9500(7)
_cell_length_b                   8.1490(7)
_cell_length_c                   13.5480(10)
_cell_measurement_reflns_used    6664
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.55
_cell_volume                     735.92(11)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 2001)'
_computing_data_collection       'RAPID-AUTO (Rigaku 2001)'
_computing_data_reduction        'RAPID-AUTO (Rigaku 2001)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and Mercury (Macrae <i>et al.</i>,
2006)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP area-detector'
_diffrn_measurement_method       '\w oscillation'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5180
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.718
_exptl_absorpt_correction_T_max  0.7251
_exptl_absorpt_correction_T_min  0.6268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.91
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             426
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.669
_refine_diff_density_min         -0.720
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3301
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_gt           0.0352
_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^)+(0.0591P)^2^+0.6991P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1062
_reflns_number_gt                3116
_reflns_number_total             3301
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rt2020.cif
_cod_data_source_block           I
_cod_original_cell_volume        735.91(11)
_cod_database_code               2220322
_cod_database_fobs_code          2220322