Dichlorido{2-hydroxyimino-<i>N</i>'-[1-(2-pyridyl)ethylidene]propanohydrazide-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}zinc(II) hemihydrate
Yurii S. Moroz; Tetyana Yu. Sliva; Kinga Kulon; Henryk Kozłowski; Igor O. Fritsky; Acta Crystallographica Section E 64 (2008) m353–m354; doi:10.1107/S160053680706535X

data_2217555
_publ_section_title
;Dichlorido{2-hydroxyimino-<i>N</i>'-[1-(2-pyridyl)ethylidene]propanohydrazide-\k^3^<i>N</i>,<i>N</i>',<i>O</i>}zinc(II)
 hemihydrate
;
_journal_coeditor_code           HY2108
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m353
_journal_page_last               m354
_journal_paper_doi               10.1107/S160053680706535X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn Cl2 (C10 H12 N4 O2)], 0.5H2 O'
_chemical_formula_moiety         'C10 H13 Cl2 N4 O2.50 Zn'
_chemical_formula_sum            'C10 H13 Cl2 N4 O2.5 Zn'
_chemical_formula_weight         365.51
_chemical_name_systematic
;
Dichlorido[2-hydroxyimino-N'-[1-(2-pyridyl)ethylidene]propanohydrazide-
\k^3^N,N',O]zinc(II) monohydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 109.873(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.5666(8)
_cell_length_b                   12.9898(8)
_cell_length_c                   15.8671(8)
_cell_measurement_reflns_used    3373
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.48
_cell_measurement_theta_min      3.06
_cell_volume                     2823.5(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'KM-4 CCD Software (Kuma, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Kum KM4 CCD area-detector'
_diffrn_measurement_method       '\w 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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17382
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.48
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    2.125
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(PLATON; Spek, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.368
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0282P)^2^+3.1850P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                3069
_reflns_number_total             3373
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2108.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H13 Cl2 N4 O2.50 Zn'
_cod_database_code               2217555
_cod_database_fobs_code          2217555