4,4'-Bipyridinium bis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cuprate(II): an ion-pair complex
Zhang, Lai-Jun; Shen, Xing-Can; Liang, Hong; Acta Crystallographica Section E 65 (2009) m1276–m1277; doi:10.1107/S1600536809039117

data_2224103
_publ_section_title
;
 4,4'-Bipyridinium
 bis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)cuprate(II): an ion-pair
 complex
;
_journal_coeditor_code           ZS2010
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1276
_journal_page_last               m1277
_journal_paper_doi               10.1107/S1600536809039117
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C10 H10 N2) [Cu (C2 O4)2]'
_chemical_formula_moiety         'C10 H10 N2 2+, C4 Cu O8 2-'
_chemical_formula_sum            'C14 H10 Cu N2 O8'
_chemical_formula_weight         397.79
_chemical_name_common
'4,4'-bipyridinium bis(oxalato-O,O')cuprate(II)'
_chemical_name_systematic
;
4,4'-Bipyridinium bis(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)cuprate(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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                113.77(3)
_cell_angle_beta                 98.43(3)
_cell_angle_gamma                97.89(3)
_cell_formula_units_Z            1
_cell_length_a                   3.6900(7)
_cell_length_b                   9.950(2)
_cell_length_c                   10.230(2)
_cell_measurement_reflns_used    1168
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.23
_cell_volume                     331.93(15)
_computing_cell_refinement       '<i>SAINT-Plus</i> (Bruker, 2005)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2005)'
_computing_data_reduction        '<i>SAINT-Plus</i> (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0134
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1761
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         2.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.701
_exptl_absorpt_correction_T_max  0.705
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2005)'
_exptl_crystal_colour            green-blue
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             201
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.296
_refine_diff_density_min         -0.290
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0271
_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^)+(0.0434P)^2^+0.1814P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0726
_reflns_number_gt                1126
_reflns_number_total             1168
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2010.cif
_cod_data_source_block           I
_cod_database_code               2224103
_cod_database_fobs_code          2224103