Sample Originator: Jon A. McClevertya.
Data Collection: Simon J. Colesb, K.M. Abdul Malikc and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb, K.M. Abdul Malikc and Steven J. Lamondb.
University of Bristola
University of Southamptonb
University of Cardiffc
C74H81B2Cl6CoN12
InChI=1/2C24H27BN4.2C12H13N2.2CHCl3.Co/c2*1-17-23(15-21-11-7-5-8-12-21)19(3)28(26-17)25-29-20(4)24(18(2)27-29)16-22-13-9-6-10-14-22;2*1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11;2*2-1(3)4;/h2*5-14,25H,15-16H2,1-4H3;2*3-7H,8H2,1-2H3;2*1H;/q;;2*-1;;;+2
| Identification Number: | 10.5258/ecrystals/1035 |
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| Controlled Keywords: | cobalt compounds |
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| Date Created: | 08 June 1994 |
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| Deposited On: | 24 Feb 2010 14:27 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
HKL scanned from printed FoFcFs table and resolved by S. Lamond.
Data collection parameters
| Chemical formula | C74 H82 B2 Cl6 Co N12 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 13.114(2) |
| Cell length b | 13.235(3) |
| Cell length c | 22.9030(10) |
| Cell angle alpha | 96.18(3) |
| Cell angle beta | 96.190(10) |
| Cell angle gamma | 113.35(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0634 |
| R Factor (All) | 0.0980 |
| Weighted R Factor (Obs) | 0.1472 |
| Weighted R Factor (All) | 0.1644 |
Citation: McCleverty, Jon A. and Coles, Simon J. and Malik, K.M. Abdul and Hursthouse, Michael B. and Lamond, Steven J. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1035)
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