Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)
Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Hemamalini, Madhukar; Fun, Hoong-Kun; Acta Crystallographica Section E 67 (2011) m1010–m1011; doi:10.1107/S1600536811025189

data_2231149
_publ_section_title
;
 Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato-\k^2^<i>N</i>,<i>O</i>^1^}nickel(II)
;
_journal_coeditor_code           HY2443
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1010
_journal_page_last               m1011
_journal_paper_doi               10.1107/S1600536811025189
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C15 H13 F N O2)2]'
_chemical_formula_moiety         'C30 H26 F2 N2 Ni O4'
_chemical_formula_sum            'C30 H26 F2 N2 Ni O4'
_chemical_formula_weight         575.24
_chemical_name_systematic
;
Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]-6-methoxyphenolato-
\k^2^<i>N</i>,<i>O</i>^1^}nickel(II)
;
_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           SHELXL-97
_cell_angle_alpha                109.631(2)
_cell_angle_beta                 99.083(3)
_cell_angle_gamma                91.020(3)
_cell_formula_units_Z            1
_cell_length_a                   5.0110(2)
_cell_length_b                   10.9309(4)
_cell_length_c                   12.2435(5)
_cell_measurement_reflns_used    3312
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      29.86
_cell_measurement_theta_min      3.10
_cell_volume                     621.92(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0709
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14720
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.837
_exptl_absorpt_correction_T_max  0.9770
_exptl_absorpt_correction_T_min  0.6851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             298
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.550
_refine_diff_density_min         -1.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3948
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max_lt       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^)+(0.0469P)^2^+0.2521P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                3148
_reflns_number_total             3948
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2443.cif
_cod_data_source_block           I
_cod_database_code               2231149
_cod_database_fobs_code          2231149