Enhancement of metal-metal interactions inside a large-cavity synthetic host in water.
Kuang, Shengjian; Hu, Zhixiong; Zhang, Hao; Zhang, Xiongzhi; Liang, Feng; Zhao, Zhiyong; Liu, Simin; Chemical communications (Cambridge, England) 54 (2018) 2169–2172; doi:10.1039/c8cc00593a

data_7121232
_publ_section_title
;
 Enhancement of metal-metal interactions inside a large-cavity synthetic
 host in water.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2169
_journal_page_last               2172
_journal_paper_doi               10.1039/c8cc00593a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C210 H208 F18 N96 O60 Pt4 S6'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2017-09-28 deposited with the CCDC.
2018-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                89.7820(10)
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_cell_measurement_temperature    296(2)
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_cell_volume                     7367.3(4)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON II'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         30.118
_diffrn_reflns_theta_min         1.524
_exptl_absorpt_coefficient_mu    2.032
_exptl_crystal_colour            'faint yellow'
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       block
_exptl_crystal_F_000             3190
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: water'
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+50.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2368
_reflns_Friedel_coverage         0.000
_reflns_number_gt                34218
_reflns_number_total             43295
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc00593a2.cif
_cod_data_source_block           mo_liusimin170414_0m_a_sq
_cod_depositor_comments          'Adding full bibliography for 7121232.cif.'
_cod_database_code               7121232
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.687
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_shelx_res_checksum              55392
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