C~63~H~72~C~l3~Mo~4~N~11~O~6~Si, C~2~H~3~N

Sample Originator: Carl Redshawa.

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

Structure Determination: Peter N. Hortonb.

University of East Angliaa
University of Southamptonb



Controlled Keywords:optoelectronics, organic compounds, molybdenum complexes
Date Created:14 November 2003
Deposited On:08 Nov 2013 16:16
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There is a molecule of disordered solvent acetonitrile in the asymmetric unit. There is a molecule of Me3SiO bound to the Mo ‘cage’ which is also disordered.

Data collection parameters

Chemical formulaC65 H75 Cl3 Mo4 N12 O6 Si
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a12.6653(2)
Cell length b26.0651(4)
Cell length c24.2388(3)
Cell angle alpha90.00
Cell angle beta100.2230(10)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0443
R Factor (All)0.0858
Weighted R Factor (Obs)0.0943
Weighted R Factor (All)0.1086

Citation: Redshaw, Carl and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1077/)
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