(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')(chloranilato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Reinoso, Santiago; Vitoria, Pablo; San Felices, Leire; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.; Acta Crystallographica Section E 61 (2005) m1925–m1927; doi:10.1107/S1600536805027649

data_2207112
_publ_section_title
(2,2'-Bipyridyl-\k^2^<i>N</i>,<i>N</i>')(chloranilato-\k^2^<i>O</i>,<i>O</i>')copper(II)
_journal_coeditor_code           YA6258
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1925
_journal_page_last               m1927
_journal_paper_doi               10.1107/S1600536805027649
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu (C6 Cl2 O4) (C10 H8 N2)]'
_chemical_formula_moiety         'C16 H8 Cl2 Cu1 N2 O4'
_chemical_formula_sum            'C16 H8 Cl2 Cu N2 O4'
_chemical_formula_weight         426.68
_chemical_name_systematic
;
(2,2'-Bipyridyl-\k^2^N,N')(chloranilato-\k^2^O,O')copper(II)
;
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.987(3)
_cell_length_b                   7.4380(10)
_cell_length_c                   17.215(2)
_cell_measurement_reflns_used    6500
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.5
_cell_volume                     3096.6(7)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF99.2 (Beurskens et al., 1999)'
_diffrn_detector_area_resol_mean '1024 \\times 1024 with blocks 2 \\times 2'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur'
_diffrn_measurement_method       \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  0.045
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14006
_diffrn_reflns_theta_full        30.0
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         3.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.78
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2003)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.136
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.062
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.74
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.74
_refine_ls_R_factor_all          0.111
_refine_ls_R_factor_gt           0.035
_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^)+(0.0227P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.055
_refine_ls_wR_factor_ref         0.065
_reflns_number_gt                2120
_reflns_number_total             4506
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6258.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207112
_cod_database_fobs_code          2207112