(2-Oxido-1-naphthaldehyde benzoylhydrazonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)pyridinecopper(II)
Zou, Li-Fei; Yang, Xiu-Yun; Gao, Ying; Yao, Hai-Bo; Li, Yun-Hui; Acta Crystallographica Section E 67 (2011) m511–; doi:10.1107/S1600536811011081

data_2229900
_publ_section_title
;
 (2-Oxido-1-naphthaldehyde
 benzoylhydrazonato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>)pyridinecopper(II)
;
_journal_coeditor_code           ZQ2095
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m511
_journal_paper_doi               10.1107/S1600536811011081
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C18 H12 N2 O2) (C5 H5 N)]'
_chemical_formula_moiety         'C23 H17 Cu N3 O2'
_chemical_formula_sum            'C23 H17 Cu N3 O2'
_chemical_formula_weight         430.94
_chemical_name_common
;
<i>N</i>-[(2-oxido-1-naphthyl-\k<i>O</i>)methylidene]benzohydrazidato-\
\k^2^<i>N</i>,<i>O</i>](pyridine)copper(II)
;
_chemical_name_systematic
;(2-Oxido-1-naphthaldehyde benzoylhydrazonato-\k^3^<i>N</i>,<i>N</i>',
<i>O</i>)pyridinecopper(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.2470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6196(6)
_cell_length_b                   8.4254(4)
_cell_length_c                   19.6194(10)
_cell_measurement_reflns_used    9033
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      51.94
_cell_measurement_theta_min      4.80
_cell_volume                     1844.03(16)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND  (Brandenburg, 1999)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0427
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8559
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.210
_exptl_absorpt_correction_T_max  0.8886
_exptl_absorpt_correction_T_min  0.8489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+1.0945P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                2860
_reflns_number_total             3619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zq2095.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229900
_cod_database_fobs_code          2229900