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Volumn 48, Issue 7, 2009, Pages 2793-2807

Engineering new metal-organic frameworks built from flexible tetrapyridines coordinated to Cu(II) and Cu(I)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; LIGAND; ORGANOMETALLIC COMPOUND; PYRIDINE DERIVATIVE;

EID: 64349108743     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic8019809     Document Type: Article
Times cited : (50)

References (33)
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    • The indicated composition shows only those components of the crystal that were at least partially ordered and were identified unambiguously by X-ray diffraction. The crystal also includes an undetermined amount of disordered guests
    • The indicated composition shows only those components of the crystal that were at least partially ordered and were identified unambiguously by X-ray diffraction. The crystal also includes an undetermined amount of disordered guests.
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    • We estimate the percentage of accessible to guests by using the PLATON program.16 PLATON calculates the accessible by allowing a spherical probe of variable radius to roll over the van der Waals surface of the network. PLATON uses a default value of 1.20 A for the radius of the probe, which is an appropriate model for small guests such as water. The van der Waals radii used to define surfaces for these calculations are as follows: C, 1.70 A; H, 1.20 A: N, 1.55 Å; O, 1.52 Å; and Cu, 2.32 Å. If V is the of the unit cell and Vg is the guest-accessible as calculated by PLATON, then the porosity P in, is given by 100Vg/V
    • g/V.
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    • Spek, A. L. PLATON, A Multipurpose Crystallographic Tool; Utrecht University: Utrecht, The Netherlands, 2001. van der Sluis, P.; Spek, A. L. Acta Crystallogr. 1990, A46, 194-201.
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    • To allow related structures to be compared, the excluded was considered to be that occupied only by Cu and the bound tetrapyridines 1-3. Other ligands, uncoordinated anions, and unbound neutral guests were all considered to occupy potentially accessible
    • To allow related structures to be compared, the excluded volume was considered to be that occupied only by Cu and the bound tetrapyridines 1-3. Other ligands, uncoordinated anions, and unbound neutral guests were all considered to occupy potentially accessible volume.
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    • The dimensions of a channel in a particular direction correspond to those of an imaginary cylinder that could be passed through the hypothetical open network in the given direction in contact with the van der Waals surface. These dimensions give the cross section at the most narrow constriction, and they no not fully reflect the porosity of networks with channels that are not uniform and linear
    • The dimensions of a channel in a particular direction correspond to those of an imaginary cylinder that could be passed through the hypothetical open network in the given direction in contact with the van der Waals surface. These dimensions give the cross section at the most narrow constriction, and they no not fully reflect the porosity of networks with channels that are not uniform and linear.
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    • 2 with a tetrapyridine related to ligand 1, see: Nättinen. K. I.; Rissanen, K. Inorg. Chem. 2003, 42, 5126-5134.
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    • For references to other metal-organic frameworks that adopt the PtS topology, see
    • For references to other metal-organic frameworks that adopt the PtS topology, see: Zhao, H.; Qu, Z.-R.; Ye, Q.; Wang, X.-S.; Zhang, J.: Xiong, R.-G.; You, X.-Z. Inorg. Chem. 2004, 43, 1813-1815.
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    • For a related discussion of the advantages and disadvantages of flexibility in the design of ligands for use in metallosupramolecular chemistry, see
    • For a related discussion of the advantages and disadvantages of flexibility in the design of ligands for use in metallosupramolecular chemistry, see: Steel, P. J. Acc. Chem. Res. 2005, 38, 243-250.
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    • See the Supporting Information for details
    • See the Supporting Information for details.
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    • Representations of channels were generated by the Cavities option in the program ATOMS Version 6.2 Shape Software, 521 Hidden Valley Road, Kingsport, Tennessee 37663, U.S.A
    • Representations of channels were generated by the Cavities option in the program ATOMS Version 6.2 (Shape Software, 521 Hidden Valley Road, Kingsport, Tennessee 37663, U.S.A.; www.shapesoftware. com).
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    • Yamanaka, M.; Uekusa, H.; Ohba, S.; Saito, Y.; Iwata, S.; Kato, M.: Tokii, T.; Muto, Y.; Steward, O. W. Acta Crystallogr. 1991, B47. 344-355. Uekusa, H.; Ohba, S.; Saito, Y.; Kato, M.; Tokii, T.; Muto, Y. Acta Crystallogr. 1989, C45, 377-380. Morosin, B.; Hughes, R. C; Soos, Z. G. Acta Crystallogr. 1975, B31, 762-770. Valentine, J. S.: Silverstein, A. J.; Soos, Z. G. J. Am. Chem. Soc. 1974, 96, 97-103. Kokoszka, G. F.; Duerst, R. W. Coord. Chem. Rev. 1970, 5, 209-244. Kokoszka, G. F.; Gordon, G. Transition Metal Chem. 1969, 5. 181-277. Barclay, G. A.; Kennard, C. H. L. J. Chem. Soc. 1961, 5244-5251.
    • Yamanaka, M.; Uekusa, H.; Ohba, S.; Saito, Y.; Iwata, S.; Kato, M.: Tokii, T.; Muto, Y.; Steward, O. W. Acta Crystallogr. 1991, B47. 344-355. Uekusa, H.; Ohba, S.; Saito, Y.; Kato, M.; Tokii, T.; Muto, Y. Acta Crystallogr. 1989, C45, 377-380. Morosin, B.; Hughes, R. C; Soos, Z. G. Acta Crystallogr. 1975, B31, 762-770. Valentine, J. S.: Silverstein, A. J.; Soos, Z. G. J. Am. Chem. Soc. 1974, 96, 97-103. Kokoszka, G. F.; Duerst, R. W. Coord. Chem. Rev. 1970, 5, 209-244. Kokoszka, G. F.; Gordon, G. Transition Metal Chem. 1969, 5. 181-277. Barclay, G. A.; Kennard, C. H. L. J. Chem. Soc. 1961, 5244-5251.
  • 28
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    • 29 only 2002 structures -belong to one of the 35 cubic space groups, and the particular group F43c has merely 37 representatives.
    • 29 only 2002 structures -belong to one of the 35 cubic space groups, and the particular group F43c has merely 37 representatives.


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