Sample Originator: David B. Daviesa and Robert A. Shawa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Birkbeck College, University of Londona
University of Southamptonb
C32H34Cl6N10O4P6
InChI=1/C14H20Cl3N4O2P3.C2H7N/c1-2-18-25(17)19-24(15,16)20-26(21-25)22-13-9-5-3-7-11(13)12-8-4-6-10-14(12)23-26;1-2-3/h3-10,18-21,24-26H,2H2,1H3;2-3H2,1H3
| Controlled Keywords: | phosphazenes |
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| Date Created: | 18 July 2001 |
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| Deposited On: | 16 Feb 2010 11:57 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
P1-P2 = 2.754, P2-P3 = 2.724, P1-P3 = 2.744. H’s fixed.
Data collection parameters
| Chemical formula | C32 H34 Cl6 N10 O4 P6 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.9951(14) |
| Cell length b | 9.7142(19) |
| Cell length c | 16.255(3) |
| Cell angle alpha | 78.60(3) |
| Cell angle beta | 85.27(3) |
| Cell angle gamma | 82.74(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0568 |
| R Factor (All) | 0.1343 |
| Weighted R Factor (Obs) | 0.1133 |
| Weighted R Factor (All) | 0.1382 |
Citation: Davies, David B. and Shaw, Robert A. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/787/)
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