Guest modulating the photoactivity of a titanium-oxide cage.
Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Chu, Menghui; Gao, Fangfang; Chen, Guanjie; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng; Chemical science 15 (2024) 19952–19961; doi:10.1039/d4sc04983g

data_1573159
_publ_section_title
;
 Guest modulating the photoactivity of a titanium-oxide cage.
;
_journal_issue                   47
_journal_name_full               'Chemical science'
_journal_page_first              19952
_journal_page_last               19961
_journal_paper_doi               10.1039/d4sc04983g
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C196 H172 N4 O92 Ti14'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-01-09 deposited with the CCDC.	2024-10-31 downloaded from the CCDC.
;
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_cell_measurement_temperature    173(2)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
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_diffrn_reflns_theta_max         76.673
_diffrn_reflns_theta_min         2.687
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         19808
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+14.6426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1688
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1573158--1573159.cif.'
_cod_database_code               1573159
_shelx_shelxl_version_number     2014/7
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