A rare cationic building block that generates a new type of polyhedral network with "cross-linked" pto topology.
Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.; Chemical communications (Cambridge, England) 52 (2016) 4160–4162; doi:10.1039/c5cc10203k

data_7118761
_publ_section_title
;
 A rare cationic building block that generates a new type of polyhedral
 network with &quot;cross-linked&quot; pto topology.
;
_journal_issue                   22
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4160
_journal_page_last               4162
_journal_paper_doi               10.1039/c5cc10203k
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C160 H112 Cu6 F18 N32 Ti3'
_chemical_formula_weight         3349.75
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_crystal_system      cubic
_space_group_IT_number           200
_space_group_name_Hall           '-P 2 2 3'
_space_group_name_H-M_alt        'P m -3'
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-12-10 deposited with the CCDC.
2016-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   21.2174(8)
_cell_length_b                   21.2174(8)
_cell_length_c                   21.2174(8)
_cell_measurement_temperature    100(2)
_cell_volume                     9551.6(6)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.571
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_unetI/netI     0.1189
_diffrn_reflns_Laue_measured_fraction_full 0.571
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13544
_diffrn_reflns_point_group_measured_fraction_full 0.571
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         50.420
_diffrn_reflns_theta_min         2.945
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_T_max  0.7400
_exptl_absorpt_correction_T_min  0.5914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    0.582
_exptl_crystal_description       needle
_exptl_crystal_F_000             1698
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.490
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1796
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.484
_refine_ls_R_factor_all          0.2601
_refine_ls_R_factor_gt           0.1732
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4334
_refine_ls_wR_factor_ref         0.4642
_reflns_Friedel_coverage         0.000
_reflns_number_gt                892
_reflns_number_total             1796
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc10203k2.cif
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
'Adding full bibliography for 7118758--7118762.cif.'
_cod_original_cell_volume        9551.6(11)
_cod_database_code               7118761
_shelx_estimated_absorpt_t_min   0.894
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2014-3
_shelx_res_checksum              62390
_shelx_hkl_checksum              98975