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CAGLIARI 150c - C40H28I2N8Ni1

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

Data Collection: Michael B. Hursthouseb

Structure Determination: Susanne L. Huthb.

Universita Degli Studi Di Cagliari, Italya
University of Southamptonb

C40H28I2N8Ni1

InChI=1/C20H14N4.HI.Ni/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17;;/h1-14H;1H;/q-2;;+3/p-1/b20-17-;;

Identification Number:10.5258/ecrystals/242
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:29
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC40 H28 I2 N8 Ni
Crystal morphologyLath
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a25.0178(10)
Cell length b8.8338(2)
Cell length c16.5583(6)
Cell angle alpha90.00
Cell angle beta97.264(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0416
R Factor (All)0.0508
Weighted R Factor (Obs)0.1040
Weighted R Factor (All)0.1101

Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Hursthouse, Michael B. and Huth, Susanne L. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/242)
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