Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure
Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan; Inorganica Chimica Acta 394 (2013) 348–352; doi:10.1016/j.ica.2012.08.017

data_1512755
_publ_section_title
;
 Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis,
 spectroscopic studies, electrochemical behaviours and 1D supramolecular
 structure
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              348
_journal_page_last               352
_journal_paper_doi               10.1016/j.ica.2012.08.017
_journal_volume                  394
_journal_year                    2013
_chemical_formula_moiety         'C20 H22 Cl1 N2 Ni O4 1+, Cl O4 1-'
_chemical_formula_sum            'C20 H22 Cl2 N2 Ni O8'
_chemical_formula_weight         548.01
_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_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.858(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4237(13)
_cell_length_b                   31.980(6)
_cell_length_c                   6.6452(10)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      12
_cell_volume                     2194.4(6)
_computing_cell_refinement       'Siemens P3/PC (Siemens, 1989)'
_computing_data_collection       'Siemens P3/PC (Siemens, 1989)'
_computing_data_reduction        'Siemens P3/PC (Siemens, 1989)'
_computing_molecular_graphics    'SHELXTL PLUS 5 (Sheldrick, 1998)'
_computing_publication_material  'SHELXTL PLUS 5 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXTL PLUS 5 (Sheldrick, 1998)'
_computing_structure_solution    'SHELXTL PLUS 5 (Sheldrick, 1998)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
'Rebuild Syntex P2~1~/Siemens P3 four-circle diffractometer'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.1141
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5171
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        3
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.179
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.813
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         4769
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          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^)+(0.0177P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0704
_reflns_number_gt                3116
_reflns_number_total             4769
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ICA-2013-394-348-352-1.cif
_cod_data_source_block           sampl1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1512755