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2006src0702 - C7H14Cl4N3O2P3

Sample Originator: David B. Daviesb, A. Kilicc and A. Usluc.

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

C7H14Cl4N3O2P3

InChI=1/C7H20Cl4N3O2P3/c1-3-7(4-2)5-15-18(10)12-17(8,9)13-19(11,14-18)16-6-7/h12-14,17-19H,3-6H2,1-2H3

Identification Number:10.5258/ecrystals/481
Date Created:05 July 2008
Deposited On:05 Jul 2008 20:21
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC7 H14 Cl4 N3 O2 P3
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a15.9483(5)
Cell length b12.1905(3)
Cell length c16.5233(4)
Cell angle alpha90.00
Cell angle beta99.189(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0366
R Factor (Obs)0.0347
R Factor (All)0.0561
Weighted R Factor (Obs)0.0766
Weighted R Factor (All)0.0851

Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, A. and Uslu, A. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/481)
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