{<i>N</i>'-[1-(2-Pyridyl)ethylidene-κ<i>N</i>]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-κ<i>N</i>]benzohydrazide-κ^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate
Datta, Amitabha; Chuang, Nien-Tsu; Wen, Yun-Sheng; Huang, Jui-Hsien; Sheu, Shiann-Cherng; Acta Crystallographica Section E 67 (2011) m1388–; doi:10.1107/S1600536811036592

data_2232126
_publ_section_title
;
 {<i>N</i>'-[1-(2-Pyridyl)ethylidene-\k<i>N</i>]benzohydrazidato-\k^2^<i>N</i>',<i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-\k<i>N</i>]benzohydrazide-\k^2^<i>N</i>',<i>O</i>}copper(II)
 trichloroacetate
;
_journal_coeditor_code           ZK2027
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1388
_journal_paper_doi               10.1107/S1600536811036592
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Cu (C14 H13 N3 O) (C14 H12 N3 O)] (C2 Cl3 O2)'
_chemical_formula_moiety         'C28 H25 Cu N6 O2 +, C2 Cl3 O2 -'
_chemical_formula_sum            'C30 H25 Cl3 Cu N6 O4'
_chemical_formula_weight         703.45
_chemical_name_systematic
;
{<i>N</i>'-[1-(2-Pyridyl)ethylidene-\k<i>N</i>]benzohydrazidato-\k^2^<i>N</i>',\
<i>O</i>}{<i>N</i>'-[1-(2-pyridyl)ethylidene-\k<i>N</i>]benzohydrazide-\
\k^2^<i>N</i>',<i>O</i>}copper(II) trichloroacetate
;
_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                107.7370(10)
_cell_angle_beta                 102.5410(10)
_cell_angle_gamma                95.2590(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3341(6)
_cell_length_b                   13.0470(9)
_cell_length_c                   16.0729(12)
_cell_measurement_temperature    295(2)
_cell_volume                     1601.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0161
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9034
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.977
_exptl_absorpt_correction_T_max  0.8753
_exptl_absorpt_correction_T_min  0.7993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       square
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.156
_refine_diff_density_min         -0.521
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6180
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0585
_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^)+(0.1266P)^2^+0.7166P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1760
_refine_ls_wR_factor_ref         0.1888
_reflns_number_gt                4962
_reflns_number_total             6180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zk2027.cif
_cod_data_source_block           I
_cod_database_code               2232126
_cod_database_fobs_code          2232126