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2007src0831 - C17H20ClFeNO3

Sample Originator: Arthur Connella and Peter J. Hollimana.

Data Collection: Louise Maleb

Structure Determination: Louise Maleb and Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb

C17H20ClFeNO3

InChI=1/C12H16ClNO3.C5H5.Fe/c1-7(2)10(6-13)14-11(15)8-4-3-5-9(8)12(16)17;1-2-4-5-3-1;/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17);1-5H;/b11-8-;;/t10-;;/m1../s1

Identification Number:10.5258/ecrystals/340
Date Created:11 July 2007
Deposited On:21 Jan 2008 15:31
Deposited By:Dr Louise Male

Data collection parameters

Chemical formulaC17 H20 Cl Fe N O3
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolP 2(1)/n
Cell length a7.8204(2)
Cell length b19.1689(6)
Cell length c11.3839(3)
Cell angle alpha90.00
Cell angle beta100.727(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0437
R Factor (All)0.0630
Weighted R Factor (Obs)0.1034
Weighted R Factor (All)0.1133

Citation: Connell, Arthur and Holliman, Peter J. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/340)
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