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98SRC091(1132) - C34H28Cl3FeOP2Re

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

C34H28Cl3FeOP2Re

InChI=1/C17H16P.2ClH.Fe.O.Re/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;;/h1-12H,13-14H2;2*1H;;;

Date Created:15 April 1998
Deposited On:23 Dec 2014 13:38
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC34 H28 Cl3 Fe O P2 Re
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbcn
Cell length a9.419(2)
Cell length b15.687(3)
Cell length c22.166(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)0.0673
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/767/)
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Available Files

Final Result

98SRC091.CIF15k
98SRC091.cml6k

Validation

98SRC091_checkcif.htm13k

Refinement

98SRC091.res5k

Processing

98SRC091.HKL111k

Other Files

98SRC091.inchi2k
98SRC091.mol3k
98SRC091.txt13k
98SRC091_ellipsoid.gif28k

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