(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitrosalicylato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)copper(II)
Wen, De-Cai; Wu, Lin-Hua; Zhong, Chun-Long; Xie, Tian-Yang; Ta, Hong-Gui; Acta Crystallographica Section E 63 (2007) m2362–m2363; doi:10.1107/S1600536807039876

data_2215176
_publ_section_title
(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')(3,5-dinitrosalicylato-\k^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-\k<i>N</i>)copper(II)
_journal_coeditor_code           HY2074
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2362
_journal_page_last               m2363
_journal_paper_doi               10.1107/S1600536807039876
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C7 H2 N2 O7) (C5 H5 N) (C10 H8 N2)]'
_chemical_formula_moiety         'C22 H15 Cu N5 O7'
_chemical_formula_sum            'C22 H15 Cu N5 O7'
_chemical_formula_weight         524.93
_chemical_name_systematic
;
(2,2'-Bipyridine-\k^2^N,N')(3,5-dinitrosalicylato-\k^2^O^1^,O^2^)(pyridine-
\kN)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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                68.99(3)
_cell_angle_beta                 67.88(3)
_cell_angle_gamma                79.08(3)
_cell_formula_units_Z            2
_cell_length_a                   9.981(2)
_cell_length_b                   10.269(2)
_cell_length_c                   11.913(2)
_cell_measurement_reflns_used    3813
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.94
_cell_volume                     1053.9(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_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  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8700
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_T_max  0.797
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             534
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.531
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0764P)^2^+1.3696P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1334
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                3149
_reflns_number_total             3813
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2074.cif
_cod_data_source_block           I
_cod_database_code               2215176
_cod_database_fobs_code          2215176