Logo

96SRC233 (994) - C31H22Cl2I3MoNO3P

Sample Originator: Baker.

Data Collection: Simon J. Colesa and Michael B. Hursthousea

Structure Determination: Simon J. Colesa.

University of Southamptona

C31H22Cl2I3MoNO3P

InChI=1/C18H15P.C9H7N.CH2Cl2.3CH3O.3HI.Mo/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-9-8(4-1)5-3-7-10-9;2-1-3;3*1-2;;;;/h1-15H;1-7H;1H2;3*2H,1H2;3*1H;/q;;;;;;;;;+1/p-1

Date Created:11 September 1996
Deposited On:23 Dec 2014 13:36
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC31 H22 Cl2 I3 Mo N O3 P
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a10.539(21)
Cell length b11.209(24)
Cell length c16.580(4)
Cell angle alpha74.90(5)
Cell angle beta77.50(7)
Cell angle gamma72.15(5)
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0804
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Baker, and Coles, Simon J. and Hursthouse, Michael B. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/762/)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

96src233.CIF17k
96src233.cml9k

Validation

96src233_checkcif.htm18k

Refinement

96src233.res8k

Processing

96src233.HKL150k

Other Files

96src233.inchi3k
96src233.mol5k
96src233.txt16k
96src233_ellipsoid.gif28k

Warning

This item is embargoed, The embargo will be lifted on 20 August 2009. This is only viewable by the authors and respository staff, If you would like to show this item to a guest, share this url: http://ecrystals.chem.soton.ac.uk/762/?key=7fe22b6fe45ef927749d9488d9048192

Repository Staff Only: item control page