91MH29 - C41H50NP2SB11
Sample Originator: John N. Morrisa. Data Collection: Mary Harmanb and Michael B. Hursthousec Structure Determination: Mary Harmanb. University of Strathclydea
University of Wales, Cardiffb
University of Southamptonc
C41H50NP2SB11 InChI=1/C36H33NP2.CH8B8Cl2.B3H3.BH3.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;1-7-3-2-4-8(10)9(11)6-5-7;1-2-3-1;;/h1-30,37-39H;2-6H,1H3;1-3H;1H3;1H | Identification Number: | 10.5258/ecrystals/1031 |
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| Controlled Keywords: | boron compounds, cage molecules |
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| Date Created: | 21 January 1991 |
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| Deposited On: | 10 Jun 2013 17:25 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C37 H43 B12 Cl2 N P2 | | Crystal morphology | | | Crystal system | monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 11.032(2) | | Cell length b | 21.135(4) | | Cell length c | 17.970(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 101.05 | | Cell angle gamma | 90.00 | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.1013 | | R Factor (All) | 0.1447 | | Weighted R Factor (Obs) | 0.2747 | | Weighted R Factor (All) | 0.3036 |
Citation: Morris, John N. and Harman, Mary and Hursthouse, Michael B. (1991) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1031)
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