Bis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[<i>N</i>-(triphenylmethyl)pyridin-2-amine-κ<i>N</i>^1^]nickel(II)
Zhang, Guang-Ning; Jiang, Chunjie; Acta Crystallographica Section E 66 (2010) m1521–; doi:10.1107/S1600536810044624

data_2228550
_publ_section_title
;
 Bis(nitrato-\k^2^<i>O</i>,<i>O</i>')bis[<i>N</i>-(triphenylmethyl)pyridin-2-amine-\k<i>N</i>^1^]nickel(II)
;
_journal_coeditor_code           SI2301
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1521
_journal_paper_doi               10.1107/S1600536810044624
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ni (N O3)2 (C24 H20 N2)2]'
_chemical_formula_sum            'C48 H40 N6 Ni O6'
_chemical_formula_weight         855.57
_chemical_name_systematic
;
Bis(nitrato-\k^2^<i>O</i>,<i>O</i>')bis[<i>N</i>-(triphenylmethyl)pyridin-
2-amine-\k<i>N</i>^1^]nickel(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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.266(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.287(2)
_cell_length_b                   23.462(5)
_cell_length_c                   17.868(4)
_cell_measurement_reflns_used    3946
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.287
_cell_measurement_theta_min      2.228
_cell_volume                     4160.3(15)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       CCD
_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  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20535
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.7905
_exptl_absorpt_correction_T_min  0.7333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.47
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.303
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7279
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+0.5431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1136
_reflns_number_gt                4928
_reflns_number_total             7279
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            si2301.cif
_cod_data_source_block           I
_cod_original_cell_volume        4160.3(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228550
_cod_database_fobs_code          2228550