Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid
Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio; CrystEngComm 18 (2016) 1282–; doi:10.1039/C5CE02036K

data_7223863
_publ_section_title
;
 Controlling interpenetration for tuning porosity and luminescence
 properties of flexible MOFs based on biphenyl-4,4&#x2032;-dicarboxylic
 acid
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1282
_journal_paper_doi               10.1039/C5CE02036K
_journal_volume                  18
_journal_year                    2016
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C42 H28 Cd3 O14, (C3 H7 N O)'
_chemical_formula_structural     'C42 H28 Cd3 O14, (C3 H7 N O)'
_chemical_formula_sum            'C45 H35 Cd3 N O15'
_chemical_formula_weight         1166.99
_chemical_name_systematic
Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}
_space_group_IT_number           148
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_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
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;
2015-12-11 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
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Analytical numeric absorption correction using a multifaceted crystal
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(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    none
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_exptl_crystal_F_000             1728
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.22
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_platon_squeeze_details
;
;
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1186
_refine_ls_R_factor_gt           0.0547
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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^)+(0.0749P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1548
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1057
_reflns_number_total             1963
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7223863--7223866.cif.'
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7223863
_shelxl_version_number           2014-3
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