Logo

00src400 (535) - C26H17BrFe

Sample Originator: Ian. R. Butlera.

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

Structure Determination: Mark E. Lightb.

University of Wales, Bangora
University of Southamptonb

C26H17BrFe

InChI=1/C21H15Br.C5H5.Fe/c22-21-19-11-5-3-9-16(19)18(14-13-15-7-1-2-8-15)17-10-4-6-12-20(17)21;1-2-4-5-3-1;/h1-7,9-12,16,20H,8H2;1-5H;

Identification Number:10.5258/ecrystals/720
Date Created:20 September 2000
Deposited On:12 Jun 2014 14:16
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC26 H17 Br Fe
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.2730(3)
Cell length b16.4508(5)
Cell length c11.1879(4)
Cell angle alpha90.00
Cell angle beta96.538(2)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0524
R Factor (All)0.0690
Weighted R Factor (Obs)0.1405
Weighted R Factor (All)0.1499

Citation: Butler, Ian. R. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/720)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page