A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane.
Manna, Biplab; Mukherjee, Soumya; Desai, Aamod V.; Sharma, Shivani; Krishna, Rajamani; Ghosh, Sujit K.; Chemical communications (Cambridge, England) 51 (2015) 15386–15389; doi:10.1039/c5cc06128h

data_7118056
_publ_section_title
;
 A \p-electron deficient diaminotriazine functionalized MOF for selective
 sorption of benzene over cyclohexane.
;
_journal_issue                   84
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              15386
_journal_page_last               15389
_journal_paper_doi               10.1039/c5cc06128h
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C20 H16 Cu N10 O4'
_chemical_formula_sum            'C20 H16 Cu N10 O4'
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;
2015-07-24 deposited with the CCDC.
2015-08-21 downloaded from the CCDC.
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0808P)^2^+14.5162P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             9132
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           DATMOF1a
_cod_depositor_comments
;
The following automatic conversions were performed:
'__computing_data_collection' tag replaced with
'_computing_data_collection' tag.

Automatic conversion script
Id: cif_correct_tags 3376 2015-05-07 07:48:27Z andrius 

The following automatic conversions were performed:

'_space_group_crystal_system' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_database_code               7118056
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_shelx_res_checksum              15660
_shelx_hkl_checksum              23467