Bis[2-(benzylamino)pyridine-κ<i>N</i>^1^]bis(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma; Acta Crystallographica Section E 67 (2011) m207–m208; doi:10.1107/S1600536811001425

data_2229303
_publ_section_title
;
 Bis[2-(benzylamino)pyridine-\k<i>N</i>^1^]bis(2-formylphenolato-\k^2^<i>O</i>,<i>O</i>')nickel(II)
;
_journal_coeditor_code           ZL2338
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m207
_journal_page_last               m208
_journal_paper_doi               10.1107/S1600536811001425
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C7 H5 O2)2 (C12 H12 N2)2]'
_chemical_formula_moiety         'C38 H34 N4 Ni O4'
_chemical_formula_sum            'C38 H34 N4 Ni O4'
_chemical_formula_weight         669.40
_chemical_name_systematic
;
Bis[2-(benzylamino)pyridine-\k<i>N</i>^1^]bis(2-formylphenolato-
\k^2^<i>O</i>,<i>O</i>')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                73.926(5)
_cell_angle_beta                 84.766(5)
_cell_angle_gamma                77.247(5)
_cell_formula_units_Z            1
_cell_length_a                   8.1747(5)
_cell_length_b                   9.3365(5)
_cell_length_c                   10.9183(6)
_cell_measurement_reflns_used    5541
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      32.5997
_cell_measurement_theta_min      4.8095
_cell_volume                     780.58(8)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_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      110(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer with a Ruby (Gemini Mo) detector
;
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9822
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.64
_diffrn_reflns_theta_min         4.82
_diffrn_standards_decay_%        <2%
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             350
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.457
_refine_diff_density_min         -0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         5136
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0341
_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^)+(0.0457P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                4216
_reflns_number_total             5136
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2338.cif
_cod_data_source_block           I
_cod_database_code               2229303
_cod_database_fobs_code          2229303