(Benzoylacetonato-<i>O</i>,<i>O</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>)copper(II)
Zhang, L.; Xu, D.; Xu, Y.; Gu, J.; Acta Crystallographica Section C 53 (1997) 299–301; doi:10.1107/S0108270196012358

data_2006001
_publ_section_title
(Benzoylacetonato-<i>O</i>,<i>O</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>)copper(II)
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              299
_journal_page_last               301
_journal_paper_doi               10.1107/S0108270196012358
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Cu (C10 H9 O2) (N1 O3) (C10 H8 N2)]'
_chemical_formula_moiety         'C20 H17 Cu N3 O5'
_chemical_formula_sum            'C20 H17 Cu N3 O5'
_chemical_formula_weight         442.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 111.65(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.471(3)
_cell_length_b                   14.347(2)
_cell_length_c                   13.290(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.8
_cell_measurement_theta_min      10.6
_cell_volume                     1855.7(8)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  TEXSAN
_computing_structure_solution    TEXSAN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3607
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        3.4
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  0.765
_exptl_absorpt_correction_T_min  0.525
_exptl_absorpt_correction_type
'empirical via \y scans (TEXSAN; Molecular Structure Corporation, 1989)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.59
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.39
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.23
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2269
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          2269
_reflns_number_total             3421
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            kh1108.cif
_cod_data_source_block           I
_cod_original_cell_volume        1855.6(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006001