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

Sample Originator: A. Uslu^a, M. Odlyha^b, A. Kilic^a, R.A. Shaw^b and David B. Davies^b.

Data Collection: Mark E. Light^c, Susanne. L. Huth^c and Simon J. Coles^c

Structure Determination: Simon J. Coles^c, J.S. Rutherford and Michael B. Hursthouse^c.

Gebze Institute of Technology^a
Birkbeck College, University of London^b
University of Southampton^c

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 formula	C3 H6 Cl4 N3 O2 P3
Crystal morphology
Crystal system	Orthorhombic
Space group symbol	Cmc2(1)
Cell length a	10.666(2)
Cell length b	13.489(3)
Cell length c	8.8593(18)
Cell angle alpha	90.00
Cell angle beta	90.00
Cell angle gamma	90.00
Data collection temperature	293(2)

Refinement results

Solution figure of merit	0.0476
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)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

04slh0004.cif	10k
04slh0004.cml	4k
04slh0004.fcf	74k

Validation

04slh0004_checkcif.htm

10k

Refinement

04slh0004.res	4k
04slh0004_xl.lst	27k

Solution

04slh0004.prp	5k
04slh0004_xs.lst	28k

Processing

04slh0004.hkl	152k
04slh0004.html	5k

Other Files

04slh0004.ins	3k
04slh0004.mol	2k
04slh0004.pdb	4k
04slh0004_ellipsoid.gif	20k

Repository Staff Only: item control page