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2009src1151 - C19H17Fe1N1O1

University of Southamptona

C19H17Fe1N1O1

InChI=1/C14H12NO.C5H5.Fe/c16-14-12(9-10-5-1-2-6-10)11-7-3-4-8-13(11)15-14;1-2-4-5-3-1;/h1-8,12H,9H2,(H,15,16);1-5H;/t12-;;/m1../s1

Identification Number:10.5258/ecrystals/1041
Controlled Keywords:organometallic structures
Date Created:06 November 2009
Deposited On:16 Feb 2010 11:20
Deposited By:Dr G J Tizzard

Data collection parameters

Chemical formulaC19 H17 Fe N O
Crystal morphology
Crystal systemmonoclinic
Space group symbolP 21/c
Cell length a6.0028(2)
Cell length b21.5130(12)
Cell length c11.3488(5)
Cell angle alpha90.00
Cell angle beta93.010(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0505
R Factor (All)0.0713
Weighted R Factor (Obs)0.1146
Weighted R Factor (All)0.1253

Citation: Tizzard, Graham J. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1041)
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