From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.
Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying; Inorganic chemistry 54 (2015) 5874–5878; doi:10.1021/acs.inorgchem.5b00652

data_4343099
_publ_section_title
;
 From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters:
 Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5874
_journal_page_last               5878
_journal_paper_doi               10.1021/acs.inorgchem.5b00652
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C72 H136 In9 N16 Rb Se38 Sn7'
_chemical_formula_sum            'C72 H136 In9 N16 Rb Se38 Sn7'
_chemical_formula_weight         6176.12
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a'
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.6218(3)
_cell_length_b                   19.6218(3)
_cell_length_c                   37.6897(9)
_cell_measurement_reflns_used    7887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.4210
_cell_measurement_theta_min      3.9180
_cell_volume                     14511.1(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            18656
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         76.768
_diffrn_reflns_theta_min         2.539
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    32.205
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ORANGE
_exptl_crystal_density_diffrn    2.827
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             11200
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.261
_refine_diff_density_min         -3.913
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         7501
_refine_ls_number_restraints     185
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0423
_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^)+(0.0700P)^2^+284.0000P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1305
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6347
_reflns_number_total             7501
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00652_si_001.cif
_cod_data_source_block           3-CD8-42C
_cod_depositor_comments
'Adding full bibliography for 4343097--4343099.cif.'
_cod_original_cell_volume        14511.1(6)
_cod_database_code               4343099
_shelxl_version_number           2013-2
_shelx_res_checksum              53594
_shelx_hkl_checksum              72555