A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks
Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du; Chem. Commun. 52 (2016) 8413–; doi:

data_7119681
_publ_section_title
;
 A bracket approach to improve the stability and gas sorption performance
 of a metal-organic framework via in situ incorporating the size-matching
 molecular building blocks
;
_journal_name_full               'Chem. Commun.'
_journal_page_first              8413
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         '0.5(C48 H24 Co6 N24 O20)'
_chemical_formula_sum            'C24 H27 Co3 N12 O10'
_chemical_formula_weight         820.36
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   mixed
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Olex2 1.2
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2016-03-03 deposited with the CCDC.
2016-05-24 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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_diffrn_measurement_details
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  1 omega   11.00   73.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8810 -131.0000  131.0000 62

  2 omega  -30.00   24.00   1.0000   55.0000
omega____ theta____ kappa____ phi______ frames
    -       17.8810  -19.0000  -90.0000 54
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_density_diffrn    0.588
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'w=1/[\s^2^(Fo^2^)+(0.0990P)^2^+1.4565P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               7119681
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_olex2_refinement_description
;
1. Others
 Fixed Sof: N1(0.5) N2(0.5) C3(0.25) C4(0.25) O1AA(0.5) C1(0.5) H1(0.5)
 H0AA(0.5)
 Fixed U13: Co1(0) O2(0) O1(0)
 Fixed U23: Co1(0) O2(0) O1(0)
 Fixed Uiso: H1(0.084) H0AA(0.084)
 Fixed X: O2(0.6667) H1(0.4185) H0AA(0.3758)
 Fixed Y: O2(0.3333) H1(0.3423) H0AA(0.3926)
 Fixed Z: Co1(0.25) O2(0.25) O1(0.25) C0AA(0.5) H1(0.4233) H0AA(0.5229)
;
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_olex2_submission_special_instructions 'No special instructions were received'