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00SRC137 (617) - C23H19FeN3O2

Sample Originator: James H. R. Tuckera.

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

Structure Determination: Mark E. Lightb.

University of Birminghama
University of Southamptonb

C23H19FeN3O2

InChI=1/2C18H14N3O2.C5H7.C5H5.2Fe/c2*22-17(13-7-2-1-3-8-13)20-15-11-6-12-16(19-15)21-18(23)14-9-4-5-10-14;2*1-2-4-5-3-1;;/h2*1-12H,(H2,19,20,21,22,23);1-2,5H,3-4H2;1-5H;;

Date Created:05 May 2000
Deposited On:23 Dec 2014 13:06
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC23 H19 Fe N3 O2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a11.5628(5)
Cell length b12.1797(5)
Cell length c14.6529(8)
Cell angle alpha80.292(2)
Cell angle beta72.282(2)
Cell angle gamma81.472(2)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0664
R Factor (All)0.1844
Weighted R Factor (Obs)0.1176
Weighted R Factor (All)0.1567

Citation: Tucker, James H. R. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/730/)
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Available Files

Final Result

00SRC137.cif26k
00SRC137.cml13k

Validation

00SRC137_checkcif.htm9k

Refinement

00SRC137.res13k

Processing

00SRC137.HKL628k
00SRC137.HTM5k

Other Files

00SRC137.doc52k
00SRC137.inchi4k
00SRC137.mol7k
00SRC137_ellipsoid.gif33k

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