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2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene

Sample Originator: A. Uslua, M. Odlyhab, A. Kilica, R.A. Shawb and David B. Daviesb.

Data Collection: Mark E. Lightc, Susanne. L. Huthc and Simon J. Colesc

Structure Determination: Simon J. Colesc, J.S. Rutherford and Michael B. Hursthousec.

Gebze Institute of Technologya
Birkbeck College, University of Londonb
University of Southamptonc

C3H6Cl4N3O2P3

InChI=1/C2H8Cl2N3OP3/c1-2-8-11-6-9(3)5-10(4)7-11/h9-11H,2H2,1H3

Identification Number:10.5258/ecrystals/301
Controlled Keywords:cyclophosphazene, phase transition, variable temperature
Date Created:28 March 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC3 H6 Cl4 N3 O2 P3
Crystal morphology
Crystal systemOrthorhombic
Space group symbolCmc2(1)
Cell length a10.666(2)
Cell length b13.489(3)
Cell length c8.8593(18)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit0.0476
R Factor (Obs)0.0366
R Factor (All)0.0479
Weighted R Factor (Obs)0.0877
Weighted R Factor (All)0.0933

Citation: Uslu, A. and Odlyha, M. and Kilic, A. and Shaw, R.A. and Davies, David B. and Light, Mark E. and Huth, Susanne. L. and Coles, Simon J. and Rutherford, J.S. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/301)
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