Chlorido[<i>N</i>'-(2-oxidobenzilidene)acetohydrazide-κ^2^<i>O</i>,<i>N</i>',<i>O</i>']copper(II) dihydrate
Tamboura, Farba Bouyagui; Gaye, Mohamed; Sall, Abdou Salam; Barry, Aliou Hamady; Bah, Youssouph; Acta Crystallographica Section E 65 (2009) m160–m161; doi:10.1107/S1600536809000105

data_2220919
_publ_section_title
;Chlorido[<i>N</i>'-(2-oxidobenzilidene)acetohydrazide-\k^2^<i>O</i>,<i>N</i>',<i>O</i>']copper(II)
 dihydrate
;
_journal_coeditor_code           SU2089
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m160
_journal_page_last               m161
_journal_paper_doi               10.1107/S1600536809000105
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu (C9 H9 N2 O2) Cl], 2H2 O'
_chemical_formula_moiety         'C9 H9 Cl Cu N2 O2, 2(H2 O)'
_chemical_formula_sum            'C9 H13 Cl Cu N2 O4'
_chemical_formula_weight         312.20
_chemical_name_systematic
;
Chlorido[<i>N</i>'-(2-oxidobenzilidene)acetohydrazide-
\k^2^<i>O</i>,<i>N</i>',<i>O</i>']copper(II) dihydrate
;
_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                76.940(11)
_cell_angle_beta                 84.645(12)
_cell_angle_gamma                81.903(13)
_cell_formula_units_Z            2
_cell_length_a                   6.762(2)
_cell_length_b                   8.987(2)
_cell_length_c                   10.312(3)
_cell_measurement_reflns_used    2138
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     603.1(3)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       '\p <b>[Please check]</b>'
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       8
_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       -13
_diffrn_reflns_number            5193
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.036
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             318
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.584
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         3520
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[s^2^(Fo^2^)+(0.0139P)^2^+0.4006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0749
_reflns_number_gt                3036
_reflns_number_total             3520
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2089.cif
_cod_data_source_block           I
_cod_database_code               2220919
_cod_database_fobs_code          2220919