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Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate

Sample Originator: Terence L. Threlfalla and Michael B. Hursthousea.

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C19H42BrN2O13

InChI=1/C8H20N.C6H18N2.C4H6O6.BrH.H2O/c1-5-9(6-2,7-3)8-4;1-7(2)5-6-8(3)4;5-1(3(7)8)2(6)4(9)10;;/h5-8H2,1-4H3;7-8H,5-6H2,1-4H3;1-2,5-7,9H;1H;1H2/q;;-2;;/t;;1-,2-;;/m..0../s1

Identification Number:10.5258/ecrystals/558
Date Created:06 August 2008
Deposited On:14 Apr 2009 20:47
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC19 H42 Br N2 O13
Crystal morphologyBlock
Crystal systemtriclinic
Space group symbolP-1
Cell length a7.8263(15)
Cell length b9.6552(19)
Cell length c17.8962(16)
Cell angle alpha101.635(10)
Cell angle beta94.082(11)
Cell angle gamma92.688(11)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0456
R Factor (All)0.0672
Weighted R Factor (Obs)0.1026
Weighted R Factor (All)0.1123

Citation: Callear, Samantha K. and Threlfall, Terence L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/558)
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