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2008src0008 - C14H29Cl2N9O7P6

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

C14H29Cl2N9O7P6

InChI=1/C6H20N5O4P3.C2H5Cl.CH3Cl/c7-16(12)9-17(8-3-1-4-13-17)11-18(10-16)14-5-2-6-15-18;1-2-3;1-2/h8,11,17-18H,1-6H2,(H4,7,9,10,12);2H2,1H3;1H3/t16-;;/m0../s1

Identification Number:10.5258/ecrystals/413
Date Created:09 May 2008
Deposited On:09 May 2008 00:28
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC14 H29 Cl2 N9 O7 P6
Crystal morphologyPlate
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a32.138(2)
Cell length b8.5084(6)
Cell length c11.6735(5)
Cell angle alpha90.00
Cell angle beta110.275(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0986
R Factor (Obs)0.1412
R Factor (All)0.2595
Weighted R Factor (Obs)0.2154
Weighted R Factor (All)0.2590

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/413)
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