Hexanuclear Platinum(II) Thiolate Macrocyclic Host: Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.
Shichibu, Yukatsu; Yoshida, Keisuke; Konishi, Katsuaki; Inorganic chemistry 55 (2016) 9147–9149; doi:10.1021/acs.inorgchem.6b01579

data_4348767
_publ_section_title
;
 Hexanuclear Platinum(II) Thiolate Macrocyclic Host:
 Charge-Transfer-Driven Inclusion of a Ag(I) Ion Guest.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9147
_journal_page_last               9149
_journal_paper_doi               10.1021/acs.inorgchem.6b01579
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C144 H300 Ag F6 Pt6 S12 Sb'
_chemical_formula_weight         3930.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                92.6717(11)
_cell_angle_beta                 93.2134(11)
_cell_angle_gamma                95.2529(10)
_cell_formula_units_Z            2
_cell_length_a                   15.6003(12)
_cell_length_b                   16.6218(13)
_cell_length_c                   31.954(3)
_cell_measurement_reflns_used    114
_cell_measurement_temperature    90.0(2)
_cell_measurement_theta_max      22.2643
_cell_measurement_theta_min      3.5965
_cell_volume                     8226.9(12)
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker SMART APEXII'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XSHELL V6.3.1 (BruekrAXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      90.0(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.1281
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            39947
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.23
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.560
_exptl_absorpt_correction_T_max  0.51
_exptl_absorpt_correction_T_min  0.34
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3952
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.687
_refine_diff_density_min         -2.410
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1580
_refine_ls_number_reflns         28627
_refine_ls_number_restraints     1785
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.0638
_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^)+(0.1059P)^2^+0.1499P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.2109
_reflns_number_gt                14873
_reflns_number_total             28627
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b01579_si_002.cif
_cod_data_source_block           I-AgSbF6
_cod_original_cell_volume        8226.9(11)
_cod_database_code               4348767
_shelx_res_checksum              95012
_shelx_hkl_checksum              85093