Sample Originator: Manfred Bochmanna.
Data Collection: Michael B. Hursthouseb and Simon J. Colesb
Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.
University of East Angliaa
University of Southamptonb
C16H30Cl2NPSeTi
InChI=1/C11H27NPSe.C5H5.2ClH.Ti/c1-9(2)12-13(14,10(3,4)5)11(6,7)8;1-2-4-5-3-1;;;/h9,13-14H,1-8H3;1-5H;2*1H;/q-1;;;;+2/p-1
| Identification Number: | 10.5258/ecrystals/1191 |
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| Controlled Keywords: | titanium compounds, selenium compounds |
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| Date Created: | 14 March 1994 |
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| Deposited On: | 16 Feb 2010 13:37 |
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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 | C16 H30 Cl2 N P Se Ti |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 8.813(7) |
| Cell length b | 15.0422(5) |
| Cell length c | 31.232(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0495 |
| R Factor (All) | 0.1173 |
| Weighted R Factor (Obs) | 0.1003 |
| Weighted R Factor (All) | 0.1094 |
Citation: Bochmann, Manfred and Hursthouse, Michael B. and Coles, Simon J. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1191)
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