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2009src0117 - C36H30INP2

Sample Originator: Michael A. Becketta and James Timmisa.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb

C36H30INP2

InChI=1/C36H33NP2.HI/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30,37-39H;1H

Identification Number:10.5258/ecrystals/704
Controlled Keywords:small organic salts
Date Created:22 April 2009
Deposited On:26 Jan 2010 13:07
Deposited By:Dr Peter N Horton

Depositor Comments

MAB/JT/22

Data collection parameters

Chemical formulaC36 H30 I N P2
Crystal morphologySlab
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a29.6827(6)
Cell length b10.1604(2)
Cell length c20.2114(4)
Cell angle alpha90.00
Cell angle beta91.3370(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0483
R Factor (All)0.0613
Weighted R Factor (Obs)0.0966
Weighted R Factor (All)0.1045

Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/704)
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