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97SRC009(984) - C24H18Fe

Sample Originator: Ian. R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C24H18Fe

InChI=1/C19H13.C5H6.Fe/c1-2-8-14(7-1)19-17-11-5-3-9-15(17)13-16-10-4-6-12-18(16)19;1-2-4-5-3-1;/h1-13H;1-4H,5H2;

Date Created:24 January 1997
Deposited On:23 Dec 2014 13:37
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC24 H18 Fe
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a10.7966(8)
Cell length b17.6155(6)
Cell length c17.888(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.1210
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/765/)
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Available Files

Final Result

97SRC009.CIF15k
97SRC009.cml7k

Validation

97SRC009_checkcif.htm14k

Refinement

97SRC009.res6k

Processing

97SRC009.HKL384k

Other Files

97SRC009.inchi2k
97SRC009.mol3k
97SRC009.txt13k
97SRC009_ellipsoid.gif22k

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