Aqua{6,6-dimethyl-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato-<i>{κ</i>^4^O},<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) chloroform solvate
Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim; Acta Crystallographica Section E 63 (2007) m2294–m2295; doi:10.1107/S1600536807038536

data_2215228
_publ_section_title
;Aqua{6,6-dimethyl-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato-<i>{\k</i>^4^O},<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II)
 chloroform solvate
;
_journal_coeditor_code           NG2303
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2294
_journal_page_last               m2295
_journal_paper_doi               10.1107/S1600536807038536
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C22 H18 N2 O2) (H2 O)] , C H Cl3'
_chemical_formula_moiety         'C22 H20 N2 O3 Zn , C H Cl3'
_chemical_formula_sum            'C23 H21 Cl3 N2 O3 Zn'
_chemical_formula_weight         545.16
_chemical_name_systematic
'Aqua{6,6-dimethyl-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato-<i>\k^4^O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) chloroform 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                94.3380(10)
_cell_angle_beta                 103.9630(10)
_cell_angle_gamma                109.8510(10)
_cell_formula_units_Z            2
_cell_length_a                   9.01150(10)
_cell_length_b                   10.7771(2)
_cell_length_c                   12.9018(2)
_cell_measurement_reflns_used    5412
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.39
_cell_volume                     1126.55(3)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and PLATON (Spek, 2003)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       \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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19823
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.39
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.475
_exptl_absorpt_correction_T_max  0.8102
_exptl_absorpt_correction_T_min  0.6513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5412
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0366
_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^)+(0.0279P)^2^+0.4583P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                4243
_reflns_number_total             5412
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2303.cif
_cod_data_source_block           I
_cod_database_code               2215228
_cod_database_fobs_code          2215228