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2006src0966 - C16H25Cl3N5P3

Sample Originator: R.A. Shawa and David B. Daviesa.

Data Collection: Simon J. Colesb

Structure Determination: Simon J. Colesb.

Birkbeck College, University of Londona
University of Southamptonb

C16H25Cl3N5P3

InChI=1/C16H31Cl3N5P3/c17-26(18)20-25(16-10-4-1-5-11-16,23-12-6-2-7-13-23)21-27(19,22-26)24-14-8-3-9-15-24/h1,4-5,10-11,20-22,25-27H,2-3,6-9,12-15H2

Identification Number:10.5258/ecrystals/305
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 formulaC16 H25 Cl3 N5 P3
Crystal morphologyCut Block
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.4791(2)
Cell length b10.2283(2)
Cell length c11.4144(3)
Cell angle alpha88.423(2)
Cell angle beta78.172(2)
Cell angle gamma79.694(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0480
R Factor (Obs)0.0316
R Factor (All)0.0368
Weighted R Factor (Obs)0.0787
Weighted R Factor (All)0.0818

Citation: Shaw, R.A. and Davies, David B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/305)
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