2008src0391 - C6H12Cl6N6O4P6

Sample Originator: David B. Daviesb and Adem Kilicc.

Data Collection: Simon J. Colesa

Structure Determination: Simon J. Colesa and Michael B. Hursthousea.

University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc



Identification Number:10.5258/ecrystals/408
Date Created:08 May 2008
Deposited On:08 May 2008 23:27
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC6 H12 Cl6 N6 O4 P6
Crystal morphologyBlock
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.0877(2)
Cell length b8.4452(2)
Cell length c9.3069(2)
Cell angle alpha104.5170(10)
Cell angle beta101.3800(10)
Cell angle gamma114.9510(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0287
R Factor (Obs)0.0292
R Factor (All)0.0312
Weighted R Factor (Obs)0.0777
Weighted R Factor (All)0.0786

Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, Adem (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/408)
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