Polynuclear nickel(II) complexes with salicylaldimine derivative ligands
Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace; Inorganica Chimica Acta 394 (2013) 741–746; doi:10.1016/j.ica.2012.09.037

data_1512824
_publ_section_title
;
 Polynuclear nickel(II) complexes with salicylaldimine derivative ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              741
_journal_page_last               746
_journal_paper_doi               10.1016/j.ica.2012.09.037
_journal_volume                  394
_journal_year                    2013
_chemical_formula_sum            'C36 H44 N6 Ni3 O10 S2'
_chemical_formula_weight         961.02
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.141(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.573(4)
_cell_length_b                   18.768(6)
_cell_length_c                   10.027(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2031.3(11)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_data_reduction        'BRUKER Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD 1000 BRUKER'
_diffrn_measurement_method       'omega scans'
_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  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15498
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.542
_exptl_absorpt_correction_T_max  0.8611
_exptl_absorpt_correction_T_min  0.7480
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         3594
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0397
_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^)+(0.0262P)^2^+3.6940P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                2399
_reflns_number_total             3594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-741-746-2.cif
_cod_data_source_block           '[Ni3(H2L1)2(NO3)2]'
_cod_original_cell_volume        2031.5(11)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1512824