Sample Originator: Manfred Bochmanna.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of East Angliaa
University of Southamptonb
C35H66Cl2N2P2Se2Ti
InChI=1/2C14H30NPSe.C7H8.2ClH.Ti/c2*1-13(2,3)16(17,14(4,5)6)15-12-10-8-7-9-11-12;1-7-5-3-2-4-6-7;;;/h2*12,16H,7-11H2,1-6H3;2-6H,1H3;2*1H;/q2*-2;;;;+6/p-2
| Identification Number: | 10.5258/ecrystals/1196 |
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| Controlled Keywords: | titanium compounds, selenium compounds |
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| Date Created: | 19 May 1994 |
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| Deposited On: | 16 Feb 2010 13:30 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C35 H66 Cl2 N2 P2 Se2 Ti |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 13.233(7) |
| Cell length b | 17.2161(10) |
| Cell length c | 35.163(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0433 |
| R Factor (All) | 0.0763 |
| Weighted R Factor (Obs) | 0.0880 |
| Weighted R Factor (All) | 0.0959 |
Citation: Bochmann, Manfred and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1196)
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