Logo

CAGLIARI 130 - C18H15Br8I5N6

Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.

Data Collection: Susanne L. Huthb

Structure Determination: Susanne L. Huthb and Michael B. Hursthouseb.

Universita Degli Studi Di Cagliari, Italya
University of Southamptonb

C18H15Br8I5N6

InChI=1/C18H18N6.6BrI.2BrH/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;6*1-2;;/h1-10,19-21H,11-12H2,(H,22,23,24);;;;;;;2*1H

Identification Number:10.5258/ecrystals/254
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC18 H15 Br8 I5 N6
Crystal morphologyCut Needle
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.156(2)
Cell length b14.103(4)
Cell length c16.380(6)
Cell angle alpha90.94(2)
Cell angle beta99.31(2)
Cell angle gamma100.91(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0517
R Factor (All)0.1154
Weighted R Factor (Obs)0.1027
Weighted R Factor (All)0.1239

Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Huth, Susanne L. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/254)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page