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.

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

C₃H₆Cl₄N₃O₂P₃

InChI=1/C3H12Cl4N3O2P3/c4-13(5)8-14(6,7)10-15(9-13)11-2-1-3-12-15/h8-10,13-15H,1-3H2

Identification Number:	10.5258/ecrystals/299
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	Pna2(1)
Cell length a	13.3686(5)
Cell length b	10.4704(4)
Cell length c	8.7799(3)
Cell angle alpha	90.00
Cell angle beta	90.00
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0253
R Factor (All)	0.0286
Weighted R Factor (Obs)	0.0567
Weighted R Factor (All)	0.0579

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/299)
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Available Files

Final Result

02SRC273.FCF	121k
02src273.cif	12k
02src273.cml	4k

Validation

02src273_checkcif.htm

Refinement

02src273.RES	4k
02src273_xl.lst	43k

Solution

02src273.PRP

Processing

02src273.HKL

159k

Other Files

02SRC273.INS	4k
02src273.doc	61k
02src273.inchi	1k
02src273.mol	2k
02src273_ellipsoid.gif	20k
S01F0001.JPG	96k

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