Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)
Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng; Acta Crystallographica Section E 69 (2013) m588–m589; doi:10.1107/S1600536813026883

data_2238719
_publ_section_title
;
 Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-\k<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-\k^2^<i>N</i>^2^,<i>O</i>}copper(II)
;
_journal_coeditor_code           FJ2644
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m588
_journal_page_last               m589
_journal_paper_doi               10.1107/S1600536813026883
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu Cl2 (C19 H16 N4 O)]'
_chemical_formula_moiety         'C19 H16 Cl2 Cu N4 O'
_chemical_formula_sum            'C19 H16 Cl2 Cu N4 O'
_chemical_formula_weight         450.81
_chemical_name_systematic
Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-\k<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-\k^2^<i>N</i>^2^,<i>O</i>}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           SHELXL-97
_cell_angle_alpha                104.0670(10)
_cell_angle_beta                 103.0260(10)
_cell_angle_gamma                100.4750(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4483(5)
_cell_length_b                   9.8197(3)
_cell_length_c                   11.5307(4)
_cell_measurement_reflns_used    3151
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.729
_cell_measurement_theta_min      2.525
_cell_volume                     978.83(7)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 2012) and DIAMOND (Brandenburg, 2010)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7149
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.31
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.405
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             458
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.397
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0429P)^2^+0.3399P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0917
_reflns_number_gt                3550
_reflns_number_total             4411
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fj2644.cif
_cod_data_source_block           I
_cod_database_code               2238719