Sample Originator: Mike A Becketta.
Data Collection: Peter N. Hortonb, Michael B. Hursthouseb and Simon J. Colesb
Structure Determination: Peter N. Hortonb.
University College of North Walesa
University of Southamptonb
C24H28B3P
InChI=1/5C24H21P.4B3H3.BH3/c5*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;4*1-2-3-1;/h5*1-20,25H;4*1-3H;1H3
Controlled Keywords: | borosilicates, glasses, coatings |
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Date Created: | 06 January 2006 |
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Deposited On: | 03 Sep 2015 16:41 |
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Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
The B3H8 groups were disordered
Data collection parameters
Chemical formula | C24 H28 B3 P |
Crystal morphology | Rod |
Crystal system | tetragonal |
Space group symbol | I-4 |
Cell length a | 27.593(2) |
Cell length b | 27.593(2) |
Cell length c | 7.0313(5) |
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 | 0.7235 |
R Factor (Obs) | 0.1292 |
R Factor (All) | 0.1533 |
Weighted R Factor (Obs) | 0.3403 |
Weighted R Factor (All) | 0.3675 |
Citation: Beckett, Mike A and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2006) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1086/)
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