Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}copper(II))
Vineetha, M. C.; Sithambaresan, M.; Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra; Acta Crystallographica Section E 68 (2012) m1086–m1087; doi:10.1107/S1600536812031467

data_2235794
_publ_section_title
;
 Di-\m-acetato-\k^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-phenyl(pyridin-2-yl-\k<i>N</i>)methylidene]benzohydrazidato-\k^2^<i>N</i>',<i>O</i>}copper(II))
;
_journal_coeditor_code           FJ2577
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1086
_journal_page_last               m1087
_journal_paper_doi               10.1107/S1600536812031467
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C19 H14 N3 O)2 (C2 H3 O2)2]'
_chemical_formula_moiety         'C42 H34 Cu2 N6 O6'
_chemical_formula_sum            'C42 H34 Cu2 N6 O6'
_chemical_formula_weight         845.85
_chemical_name_systematic
;
Di-\m-acetato-\k^4^<i>O</i>:<i>O</i>-bis({<i>N</i>'-[(<i>E</i>)-
phenyl(pyridin-2-yl\k<i>N</i>)methylidene]benzohydrazidato-
\k^2^<i>N</i>',<i>O</i>}copper(II))
;
_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_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                 100.7180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5758(3)
_cell_length_b                   13.1009(4)
_cell_length_c                   15.2124(5)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.66
_cell_volume                     1875.13(10)
_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2010)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14426
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    1.192
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             868.0
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.345
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3300
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0265
_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^)+(0.0437P)^2^+0.9597P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0792
_reflns_number_gt                2981
_reflns_number_total             3300
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fj2577.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2235794
_cod_database_fobs_code          2235794