Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato-κ^2^<i>N</i>,<i>O</i>)zinc methanol disolvate
Kim, Young-Inn; Yun, Sung-Jae; Hwang, Inn-Hye; Kim, Dae-Young; Kang, Sung Kwon; Acta Crystallographica Section E 68 (2012) m504–m505; doi:10.1107/S160053681201272X

data_2234431
_publ_section_title
;
 Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato-\k^2^<i>N</i>,<i>O</i>)zinc
 methanol disolvate
;
_journal_coeditor_code           TK5073
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m504
_journal_page_last               m505
_journal_paper_doi               10.1107/S160053681201272X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn (C20 H14 N O)2], 2C H4 O'
_chemical_formula_moiety         'C40 H28 N2 O2 Zn, 2(C H4 O)'
_chemical_formula_sum            'C42 H36 N2 O4 Zn'
_chemical_formula_weight         698.1
_chemical_name_systematic
;
Bis(2-{[(9<i>H</i>-fluoren-2-yl)methylidene]amino}phenolato-
\k^2^<i>N</i>,<i>O</i>)zinc methanol disolvate
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 110.6520(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7294(3)
_cell_length_b                   13.9123(2)
_cell_length_c                   18.8383(3)
_cell_measurement_reflns_used    2869
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.29
_cell_measurement_theta_min      2.16
_cell_volume                     3367.03(11)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10682
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.316
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0431P)^2^+0.3461P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                2134
_reflns_number_total             3078
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk5073.cif
_cod_data_source_block           I
_cod_original_cell_volume        3367.03(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2234431
_cod_database_fobs_code          2234431