2009src0924 - C12H16IN

Sample Originator: Peter J. Hollimana.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb



Identification Number:10.5258/ecrystals/1249
Controlled Keywords:crystal structures of small organic molecules, small organic salts
Date Created:18 August 2009
Deposited On:26 Jan 2010 11:36
Deposited By:Dr Peter N Horton

Depositor Comments

User refcode:- ACC3SQIS(2)

Data collection parameters

Chemical formulaC12 H16 I N
Crystal morphologyBlade
Crystal systemorthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a6.95290(10)
Cell length b11.4620(3)
Cell length c15.7644(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0195
R Factor (Obs)0.0261
R Factor (All)0.0282
Weighted R Factor (Obs)0.0509
Weighted R Factor (All)0.0520

Citation: Holliman, Peter J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1249)
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