Bis(2-butyliminomethyl-5-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^)zinc(II)
Yang, Jun; Li, Jin; Zhang, Xian; Wang, Qiang; Acta Crystallographica Section E 65 (2009) m1062–; doi:10.1107/S1600536809031109

data_2223065
_publ_section_title
;
 Bis(2-butyliminomethyl-5-methoxyphenolato-\k^2^<i>N</i>,<i>O</i>^1^)zinc(II)
;
_journal_coeditor_code           HB5031
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1062
_journal_paper_doi               10.1107/S1600536809031109
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn (C12 H16 N O2)2]'
_chemical_formula_moiety         'C24 H32 N2 O4 Zn'
_chemical_formula_sum            'C24 H32 N2 O4 Zn'
_chemical_formula_weight         477.89
_chemical_name_systematic
;
Bis(2-butyliminomethyl-5-methoxyphenolato-\k^2^<i>N</i>,<i>O</i>^1^)zinc(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 93.555(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.250(4)
_cell_length_b                   4.8845(15)
_cell_length_c                   17.858(5)
_cell_measurement_reflns_used    2317
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.73
_cell_volume                     1153.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX 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  0.1553
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13300
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.097
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.127
_refine_diff_density_min         -0.674
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         2856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0665P)^2^+0.1817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1588
_refine_ls_wR_factor_ref         0.1642
_reflns_number_gt                2438
_reflns_number_total             2856
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5031.cif
_cod_data_source_block           I
_cod_original_cell_volume        1153.6(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2223065
_cod_database_fobs_code          2223065