Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted by silver(i) ions
Konno, Takumi; Usami, Masafumi; Hirotsu, Masakazu; Yoshimura, Takashi; Kawamoto, Tatsuya; Chemical Communications  (2004) 2296–2297; doi:10.1039/b404512b

data_7110306
_publ_section_title
;
 Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted
 by silver(i) ions
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2296
_journal_page_last               2297
_journal_paper_doi               10.1039/b404512b
_journal_year                    2004
_chemical_formula_moiety         'C32 H56 B2 Ag2 F8 N8 Ni4 S8 '
_chemical_formula_sum            'C32 H56 Ag2 B2 F8 N8 Ni4 S8'
_chemical_formula_weight         1433.47
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.03(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.438(2)
_cell_length_b                   20.621(5)
_cell_length_c                   18.811(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.7
_cell_volume                     5205.3(17)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9901
_diffrn_measured_fraction_theta_max 0.9901
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            29276
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_standards_decay_%        -2.08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.537
_exptl_absorpt_correction_T_max  0.281
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_meas      1.500
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             2880.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.25
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     802
_refine_ls_number_reflns         11923
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0526P)^2^+8.1838P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                8762
_reflns_number_total             11923
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b404512bsup1.cif
_cod_data_source_block           '[2](BF4)2'
_cod_original_cell_volume        5205(1)
_cod_original_formula_sum        'C32 H56 B2 Ag2 F8 N8 Ni4 S8 '
_cod_database_code               7110306