Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization.
Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling; Dalton transactions (Cambridge, England : 2003) 47 (2018) 13158–13163; doi:10.1039/c8dt02544d

data_7047306
_publ_section_title
;
 Tuning the gate opening pressure of a flexible doubly interpenetrated
 metal-organic framework through ligand functionalization.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13158
_journal_page_last               13163
_journal_paper_doi               10.1039/c8dt02544d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C138 H118 N4 O33 Zn8'
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_symmetry_space_group_name_Hall  'R 3 -2"c'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-07-24 deposited with the CCDC.
2018-08-20 downloaded from the CCDC.
;
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_refine_ls_abs_structure_details
;
 Flack x determined using 2729 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.023(14)
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_refine_ls_shift/su_max          0.075
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1141P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2002
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.999
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_reflns_number_gt                7124
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02544d2.cif
_cod_data_source_block           bbb
_cod_depositor_comments          'Adding full bibliography for 7047306.cif.'
_cod_original_cell_volume        31627(11)
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_platon_squeeze_void_probe_radius 1.20