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2006src1374 - C36H40B4Fe2O8

Sample Originator: Simon Aldridgea.

Data Collection: Louise Maleb

Structure Determination: Louise Maleb and Michael B. Hursthouseb.

University of Cardiffa
University of Southamptonb

C36H40B4Fe2O8

InChI=1/2C18H20B2O4.2Fe/c2*1-2-6-13(5-1)19-21-15-9-11-17-18(12-10-16(15)22-19)24-20(23-17)14-7-3-4-8-14;;/h2*1-8,15-18H,9-12H2;;/t2*15-,16+,17+,18-;;

Identification Number:10.5258/ecrystals/329
Date Created:13 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Louise Male

Data collection parameters

Chemical formulaC36 H40 B4 Fe2 O8
Crystal morphologyPlate
Crystal systemOrthorhombic
Space group symbolP bcn
Cell length a19.6222(11)
Cell length b7.8609(3)
Cell length c21.3982(11)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1528
R Factor (Obs)0.0905
R Factor (All)0.1451
Weighted R Factor (Obs)0.1459
Weighted R Factor (All)0.1676

Citation: Aldridge, Simon and Male, Louise and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/329)
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