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2007src0260 - C15H17Cl2N4OP3

Sample Originator: S. Beslia, A. Kilica and David B. Daviesb.

Data Collection: Simon J. Colesc

Structure Determination: Simon J. Colesc and Michael B. Hursthousec.

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

C15H17Cl2N4OP3

InChI=1/C15H23Cl2N4OP3/c16-24(17)19-23(14-8-3-1-4-9-14,15-10-5-2-6-11-15)20-25(21-24)18-12-7-13-22-25/h1-6,8-11,18-21,23-25H,7,12-13H2

Identification Number:10.5258/ecrystals/302
Controlled Keywords:cyclophosphazene
Date Created:28 March 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC15 H17 Cl2 N4 O P3
Crystal morphologyPrism
Crystal systemTetragonal
Space group symbolP4(1)2(1)2
Cell length a9.41970(10)
Cell length b9.41970(10)
Cell length c42.3480(9)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0611
R Factor (Obs)0.0563
R Factor (All)0.0886
Weighted R Factor (Obs)0.1448
Weighted R Factor (All)0.1695

Citation: Besli, S. and Kilic, A. and Davies, David B. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/302)
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