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01SRC912 (578) - C20H30Cl2FeN6O8

Sample Originator: Ian A. Fallisa.

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

Structure Determination: Mark E. Lightb.

Cardiff Universitya
University of Southamptonb

C20H30Cl2FeN6O8

InChI=1/C10H17N3.ClHO.Fe.3H2O/c1-12-7-8-13(2)10-6-4-3-5-9(10)11;1-2;;;;/h3-6,12H,7-8,11H2,1-2H3;2H;;3*1H2

Date Created:02 November 2001
Deposited On:23 Dec 2014 13:07
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC20 H30 Cl2 Fe N6 O8
Crystal morphology
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a19.0961(8)
Cell length b8.5356(5)
Cell length c16.7145(7)
Cell angle alpha90.00
Cell angle beta115.869(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0468
R Factor (All)0.0601
Weighted R Factor (Obs)0.1104
Weighted R Factor (All)0.1170

Citation: Fallis, Ian A. and Light, Mark E. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/726/)
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