Bis[2-(2-naphthyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II)
Jian-Fang Dong; Lian-Zhi Li; Li-Li Xu; Tao Xu; Da-Qi Wang; Acta Crystallographica Section E 63 (2007) m1731–m1731; doi:10.1107/S1600536807024452

data_2213810
_publ_section_title
;
 Bis[2-(2-naphthyliminomethyl)phenolato-\k^2^<i>N</i>,<i>O</i>]zinc(II)
;
_journal_coeditor_code           HB2423
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1731
_journal_page_last               m1731
_journal_paper_doi               10.1107/S1600536807024452
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C17 H12 N O)2]'
_chemical_formula_moiety         'C34 H24 N2 O2 Zn'
_chemical_formula_sum            'C34 H24 N2 O2 Zn'
_chemical_formula_weight         557.92
_chemical_name_systematic
;
Bis[2-(2-naphthyliminomethyl)phenolato-\k^2^<i>N</i>,<i>O</i>]zinc(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.791(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.7616(11)
_cell_length_b                   26.912(3)
_cell_length_c                   16.635(2)
_cell_measurement_reflns_used    2565
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.26
_cell_measurement_theta_min      2.55
_cell_volume                     2579.1(6)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Siemens SMART 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  0.1090
_diffrn_reflns_av_sigmaI/netI    0.1122
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12472
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.507
_refine_diff_density_min         -1.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1745
_refine_ls_R_factor_gt           0.1231
_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^)+(0.1741P)^2^+8.9475P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2926
_refine_ls_wR_factor_ref         0.3228
_reflns_number_gt                2620
_reflns_number_total             4398
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2423.cif
_cod_data_source_block           I
_cod_original_cell_volume        2579.0(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213810
_cod_database_fobs_code          2213810