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C~11~H~23~Cl~2~N~4~O~6~P~3~

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

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

Birkbeck College, University of Londona
University of Southamptonb

C11H23Cl2N4O6P3

InChI=1/C11H29Cl2N4O6P3/c12-24(13)15-25(14-2-1-3-21-25)17-26(16-24)22-10-8-19-6-4-18-5-7-20-9-11-23-26/h14-17,24-26H,1-11H2

Controlled Keywords:phosphazenes
Date Created:10 January 2001
Deposited On:16 Feb 2010 12:43
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC11 H23 Cl2 N4 O6 P3
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a8.6830(7)
Cell length b12.7753(11)
Cell length c17.2103(17)
Cell angle alpha90.00
Cell angle beta90.513(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0608
R Factor (All)0.1698
Weighted R Factor (Obs)0.1054
Weighted R Factor (All)0.1357

Citation: Shaw, R. A. and Davies, David B. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/788/)
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Available Files

Final Result

S92.CIF17k
S92.cml6k

Validation

S92_checkcif.htm10k

Refinement

S92.res8k

Processing

S92.HKL371k

Other Files

S92.inchi2k
S92.mol4k
S92_ellipsoid.gif20k

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