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2010src0035 (MAB/JT/32) C5H16B5NO10

Sample Originator: Michael A. Becketta and James Timmisa.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb

C5H16B5NO10

InChI=1/C5H12N.B5H4O10/c6-5-3-1-2-4-5;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h5H,1-4H2,6H3;6-9H

Identification Number:10.5258/ecrystals/1259
Controlled Keywords:boron compounds
Date Created:08 March 2010
Deposited On:08 Mar 2010 12:23
Deposited By:Dr Peter N Horton

Depositor Comments

User refcode: MAB/JT/32 The cyclopentylammonium cation was disordered over 2 sites

Data collection parameters

Chemical formulaC5 H16 B5 N O10
Crystal morphologyCut Block
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a9.4446(4)
Cell length b13.9129(7)
Cell length c10.3330(3)
Cell angle alpha90.00
Cell angle beta92.517(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0431
R Factor (Obs)0.0447
R Factor (All)0.0665
Weighted R Factor (Obs)0.1078
Weighted R Factor (All)0.1204

Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1259)
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