Sample Originator: Peter. G. Taylora.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
Open Universitya
University of Southamptonb
C36H102Na6O30Si6
InChI=1/2C18H36O6Si3.6Na.18H2O.6H/c2*19-25(16-10-4-1-5-11-16)22-26(20,17-12-6-2-7-13-17)24-27(21,23-25)18-14-8-3-9-15-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*16-21H,1-15H2;;;;;;;18*1H2;;;;;;/t2*25-,26+,27-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
| Date Created: | 08 January 2001 |
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| Deposited On: | 23 Dec 2014 13:01 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C36 H102 Na6 O30 Si6 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P1 |
| Cell length a | 9.16150(10) |
| Cell length b | 10.1143(2) |
| Cell length c | 18.1371(5) |
| Cell angle alpha | 88.5860(10) |
| Cell angle beta | 80.2380(10) |
| Cell angle gamma | 70.995(2) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0338 |
| R Factor (All) | 0.0389 |
| Weighted R Factor (Obs) | 0.0866 |
| Weighted R Factor (All) | 0.0895 |
Citation: Taylor, Peter. G. and Gelbrich, Thomas and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/826/)
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