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_7110305
_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         'C24 H45 B2 Ag2 F8 N6 O1.50 Ni3 S6 '
_chemical_formula_sum            'C24 H45 Ag2 B2 F8 N6 Ni3 O1.5 S6'
_chemical_formula_weight         1199.46
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.30(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.050(2)
_cell_length_b                   21.185(3)
_cell_length_c                   16.590(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.1
_cell_volume                     4190.7(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10369
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.61
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.605
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.58
_refine_ls_extinction_coef       0.0001
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     479
_refine_ls_number_reflns         4702
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.4430
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0491P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1353
_reflns_number_gt                4702
_reflns_number_total             9636
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b404512bsup1.cif
_cod_data_source_block           '[1](BF4)3*1.5H2O'
_cod_original_cell_volume        4190(1)
_cod_original_formula_sum        'C24 H45 B2 Ag2 F8 N6 O1.50 Ni3 S6 '
_cod_database_code               7110305