Bis{<i>N</i>-[(1<i>Z</i>,3<i>Z</i>)-1,3-bis(4-fluorophenyl)-3-(phenylimino)prop-1-enyl]aniline(1–)}zinc(II)
Peng, Ya-Liu; Hsueh, Mao-Lin; Lin, Chu-Chieh; Acta Crystallographica Section E 63 (2007) m2388–m2388; doi:10.1107/S1600536807040123

data_2215098
_publ_section_title
Bis{<i>N</i>-[(1<i>Z</i>,3<i>Z</i>)-1,3-bis(4-fluorophenyl)-3-(phenylimino)prop-1-enyl]aniline(1--)}zinc(II)
_journal_coeditor_code           GG2033
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2388
_journal_page_last               m2388
_journal_paper_doi               10.1107/S1600536807040123
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C27 H19 F2 N2)2]'
_chemical_formula_moiety         'C54 H38 F4 N4 Zn'
_chemical_formula_sum            'C54 H38 F4 N4 Zn'
_chemical_formula_weight         884.26
_chemical_name_systematic
;
Bis{<i>N</i>-[(1<i>Z</i>,3<i>Z</i>)-1,3-bis(4-fluorophenyl)-3-
(phenylimino)prop-1-enyl]aniline(1-)}zinc(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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
_cell_angle_beta                 106.102(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.967(2)
_cell_length_b                   10.6232(10)
_cell_length_c                   19.2852(19)
_cell_measurement_reflns_used    3748
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.48
_cell_volume                     4323.8(7)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1999)'
_computing_publication_material  'SHELXTL (Bruker, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000 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  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12028
_diffrn_reflns_theta_full        26.1
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpiped
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.301
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0404
_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^)+(0.059P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                3043
_reflns_number_total             4272
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg2033.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215098
_cod_database_fobs_code          2215098