Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.
Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; ACS applied materials & interfaces 13 (2021) 14768–14777; doi:10.1021/acsami.1c02812

data_4518557
_publ_section_title
;
 Metal-Organic Frameworks for Highly Selective Separation of Xylene
 Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion
 Compounds.
;
_journal_issue                   12
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              14768
_journal_page_last               14777
_journal_paper_doi               10.1021/acsami.1c02812
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'C52 H32 Li2 N2 O12 Zn2'
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_cell_length_b                   17.0530(11)
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_cell_measurement_temperature    100(2)
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_cell_volume                     5178.9(6)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_collection       'Marccd (Doyle, 2011)'
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_diffrn_measurement_device_type  'Rayonix SX-165 CCD'
_diffrn_measurement_method       '\f scan'
_diffrn_radiation_monochromator  'Double Crystal Monochromator'
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_av_unetI/netI     0.0292
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_diffrn_reflns_limit_l_min       -23
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       needle
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0809P)^2^+7.2583P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             5797
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            benzene.cif
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_cod_depositor_comments
'Adding full bibliography for 4518556--4518560.cif.'
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_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              32993
_shelx_hkl_checksum              98086