Shape-induced, hexagonal, open frameworks: Rubidium ion complexed cucurbituril

Angewandte Chemie - International Edition

Volumn 38, Issue 5, 1999, Pages 641-643

  Heo, Jungseok ^a   Kim, Soo Young ^a   Whang, Dongmok ^a   Kim, Kimoon ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

Author keywords

Channel structures; Coordination polymers; Crystal engineering; Rubidium; Supramolecular chemistry

Indexed keywords

CARBONYL DERIVATIVE; COORDINATION COMPOUND; CUCURBITURIL; MACROCYCLIC COMPOUND; METAL COMPLEX; POLYMER; RUBIDIUM ION; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONFORMATION; CRYSTAL STRUCTURE; HYDROGEN BOND; METAL BINDING; X RAY CRYSTALLOGRAPHY;

EID: 0033104637     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3773(19990301)38:5<641::AID-ANIE641>3.0.CO;2-O     Document Type: Article

References (26)

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21. 2O: C 34.58, H 3.97, N 25.47; found: C 34.36, H 4.28, N 25.71.
22. 2 with all 1049 reflections and 117 variables converged to R1 = 0.092 (I>2σ(I)), wR2 = 0.30 (all data), and GOF = 1.12. Crystallographic data (excluding structure factors) for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Center as supplementary publication no. CCDC-103350. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB21EZ, UK (fax: (+44)1223-336-033; e-mail: deposit@ccdc.cam.ac.uk).
23. The void volume of the channels was estimated by the method described in reference [3b].
24. Upon loss of the solvate molecules (water) the open-framework structure collapses to become a denser amorphous material.
25. 3. X-ray structural analysis on this crystal is in progress.
26. In another way to look at the structure one may consider cucurbituril as a "pseudosphere". The pseudospheres are forced to line up vertically upon formation of the coordination polymer with the rubidium ions. This vertical lineup prevents the classical hexagonal or cubic closed packing, but leads to the "hexagonal open packing" observed here.