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
C39H38BF15HfSi2
InChI=1/C13H3BF10.C11H23Si2.C7H8.C6HF5.2CH3.Hf/c1-14(2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18;1-12(2,3)10-7-8-11(9-10)13(4,5)6;1-7-5-3-2-4-6-7;7-2-1-3(8)5(10)6(11)4(2)9;;;/h1H3;7-8,10H,9H2,1-6H3;2-6H,1H3;1H;2*1H3;/t;10-;;;;;/m.1...../s1
| Identification Number: | 10.5258/ecrystals/1200 |
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| Controlled Keywords: | coordination chemistry transition metals |
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| Date Created: | 10 October 1994 |
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| Deposited On: | 16 Feb 2010 13:16 |
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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 | C39 H38 B F15 Hf Si2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.289(7) |
| Cell length b | 12.891(8) |
| Cell length c | 14.531(8) |
| Cell angle alpha | 95.06(4) |
| Cell angle beta | 95.64(5) |
| Cell angle gamma | 105.50(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0396 |
| R Factor (All) | 0.0451 |
| Weighted R Factor (Obs) | 0.0958 |
| Weighted R Factor (All) | 0.0971 |
Citation: Bochmann, Manfred and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1200)
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