Poly[[μ~2~-(1<i>Z</i>,<i>N</i>'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-<i>N</i>'-(2-oxidobenzylidene-κ^2^<i>O</i>:<i>O</i>)acetohydrazidato-κ^2^<i>O</i>,<i>N</i>'](pyridine-κ<i>N</i>)copper(II)]
Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.; Acta Crystallographica Section E 67 (2011) m11–; doi:10.1107/S160053681004986X

data_2228854
_publ_section_title
;
 Poly[[\m~2~-(1<i>Z</i>,<i>N</i>'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-<i>N</i>'-(2-oxidobenzylidene-\k^2^<i>O</i>:<i>O</i>)acetohydrazidato-\k^2^<i>O</i>,<i>N</i>'](pyridine-\k<i>N</i>)copper(II)]
;
_journal_coeditor_code           RK2250
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m11
_journal_paper_doi               10.1107/S160053681004986X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C16 H11 N3 O2 S2) (C5 H5 N)]'
_chemical_formula_moiety         'C21 H16 Cu N4 O2 S2'
_chemical_formula_sum            'C21 H16 Cu N4 O2 S2'
_chemical_formula_weight         484.04
_chemical_melting_point          553
_chemical_name_systematic
;
Poly[[\m~2~-(1<i>Z</i>,N'<i>E</i>)-2-(1,3-benzothiazol-2-ylsulfanyl)-
<i>N</i>'-(2-oxidobenzylidene-\k^2^<i>O</i>:<i>O</i>)acetohydrazidato-
\k^2^<i>O</i>,<i>N</i>'](pyridine-\k<i>N</i>)copper(II)]
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.6256(5)
_cell_length_b                   25.3751(7)
_cell_length_c                   7.1230(2)
_cell_measurement_reflns_used    2558
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.47
_cell_volume                     3908.76(18)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2005)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2005)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2005)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg & Putz, 2010)'
_computing_publication_material  '<i>publCIF</i> (Westrip, 2010)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            18118
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  0.9229
_exptl_absorpt_correction_T_min  0.5498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2005)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.332
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0368
_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^)+(0.0326P)^2^+3.0387P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                2903
_reflns_number_total             4003
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2250.cif
_cod_data_source_block           I
_cod_database_code               2228854
_cod_database_fobs_code          2228854