Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine
Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.; Catalysis Science & Technology 8 (2018) 4349–; doi:10.1039/C8CY00794B

data_1549740
_publ_section_title
;
 Make room for iodine: systematic pore tuning of multivariate
 metal--organic frameworks for the catalytic oxidation of hydroquinones
 using hypervalent iodine
;
_journal_issue                   17
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              4349
_journal_paper_doi               10.1039/C8CY00794B
_journal_volume                  8
_journal_year                    2018
_chemical_formula_sum            'C8 H4.3 Al I0.7 O5.25'
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_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_atom_sites_solution_hydrogens   mixed
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_atom_sites_solution_secondary   difmap
_audit_creation_date             2017-10-06T10:05:33-00:00
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_audit_update_record
;
2018-04-18 deposited with the CCDC.
2018-07-30 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1560P)^2^+10.1819P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2786
_refine_ls_wR_factor_ref         0.2903
_reflns_number_gt                596
_reflns_number_total             730
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cy00794b2.cif
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_cod_depositor_comments
'Adding full bibliography for 1549739--1549740.cif.'
_cod_original_cell_volume        1385.2(16)
_cod_original_formula_sum        'C8 H4.30 Al I0.70 O5.25'
_cod_database_code               1549740
_shelx_estimated_absorpt_t_min   0.564
_shelx_estimated_absorpt_t_max   0.766
_shelx_res_checksum              30183