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C~10~H~8~Cl~2~N~4~ - C10H8Cl2N4

Sample Originator: Alexander J. Blakea.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

University of Nottinghama
University of Southamptonb

C10H8Cl2N4

InChI=1/C6H8N2.C4H2Cl2N2/c1-5-3-6(2)8-4-7-5;5-3-1-2-4(6)8-7-3/h3-4H,1-2H3;1-2H

Identification Number:10.5258/ecrystals/1206
Controlled Keywords:organic compounds
Date Created:17 September 1997
Deposited On:16 Feb 2010 13:07
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC10 H8 Cl2 N4
Crystal morphology
Crystal systemorthorhombic
Space group symbolPbca
Cell length a7.2300(10)
Cell length b15.594(3)
Cell length c19.618(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0443
R Factor (All)0.0815
Weighted R Factor (Obs)0.1025
Weighted R Factor (All)0.1083

Citation: Blake, Alexander J. and Light, Mark E. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1206)
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Available Files

Final Result

97SRC194.cif11k
97SRC194.cml4k
97SRC194.fcf85k

Validation

97SRC194_checkcif.htm10k

Refinement

97SRC194.res5k

Solution

97SRC194.PRP5k

Processing

97SRC194.hkl253k

Other Files

97SRC194.inchi1k
97SRC194.ins4k
97SRC194.mol2k
97SRC194_ellipsoid.gif16k

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