Bis{<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-2-oxo-2-[2-(2,3,4- trihydroxybenzylidene)hydrazinyl]ethanaminium} tetrachloridozincate(II) methanol solvate
Novaković, Sladjana B.; Drašković, Bojana M.; Vojinović-Ješić, Ljiljana S.; Češljević, Valerija I.; Leovac, Vukadin M.; Acta Crystallographica Section E 66 (2010) m328–m329; doi:10.1107/S160053681000615X

data_2225356
_publ_section_title
;
 Bis{<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-2-oxo-2-[2-(2,3,4-
 trihydroxybenzylidene)hydrazinyl]ethanaminium}
 tetrachloridozincate(II) methanol solvate
;
_journal_coeditor_code           RK2191
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m328
_journal_page_last               m329
_journal_paper_doi               10.1107/S160053681000615X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '(C12 H18 N3 O4)2 [Zn Cl4], C H4 O'
_chemical_formula_moiety         '2(C12 H18 N3 O4 +), Cl4 Zn 2-, C H4 O'
_chemical_formula_sum            'C25 H40 Cl4 N6 O9 Zn'
_chemical_formula_weight         775.82
_chemical_name_systematic
;
Bis{<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-2-oxo-2-[2-(2,3,4-
trihydroxybenzylidene)hydrazinyl]ethanaminium} tetrachloridozincate(II)
methanol solvate
;
_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           SHELXL97
_cell_angle_alpha                110.90(4)
_cell_angle_beta                 94.91(4)
_cell_angle_gamma                103.94(5)
_cell_formula_units_Z            2
_cell_length_a                   9.471(3)
_cell_length_b                   13.389(4)
_cell_length_c                   14.986(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      19.37
_cell_measurement_theta_min      11.46
_cell_volume                     1691.9(12)
_computing_cell_refinement       '<i>CAD-4 Software</i> (Enraf--Nonius, 1989)'
_computing_data_collection       '<i>CAD-4 Software</i> (Enraf--Nonius, 1989)'
_computing_data_reduction        '<i>XCAD4</i>    (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    '<i>ORTEP-3</i> (Farrugia, 1997)'
_computing_publication_material
;
<i>WinGX</i> (Farrugia, 1999), <i>PLATON</i> (Spek, 2009) and
<i>PARST</i> (Nardelli, 1995)
;
_computing_structure_refinement  '<i>SHELXL97</i> (cheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q-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  0.0168
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7056
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-green
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.584
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         6632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0432
_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^)+(0.0754P)^2^+0.7588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1280
_reflns_number_gt                5226
_reflns_number_total             6632
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            rk2191.cif
_cod_data_source_block           I
_cod_database_code               2225356
_cod_database_fobs_code          2225356