Sample Originator: Peter G. Taylora.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Open Universitya
University of Southamptonb
C50H90O15Si10
InChI=1/C50H90O15Si10.C46H88O15Si10.3C2H6.CH4.4H2/c1-2-22-41(21-1)66-51-67(42-23-3-4-24-42)58-70(45-29-9-10-30-45)52-68(56-66,43-25-5-6-26-43)60-72(47-33-13-14-34-47)54-74(62-70,49-37-17-18-38-49)65-75(50-39-19-20-40-50)55-73(64-72,48-35-15-16-36-48)61-69(57-66,44-27-7-8-28-44)53-71(59-67,63-75)46-31-11-12-32-46;1-7-38(5)63-47-62(37(3)4)48-64(39(6)8-2)51-67(42-27-13-14-28-42)55-65(49-62,40-23-9-10-24-40)54-66(50-63,41-25-11-12-26-41)57-70(45-33-19-20-34-45)59-68(52-63,43-29-15-16-30-43)56-69(53-64,44-31-17-18-32-44)60-71(58-67,61-70)46-35-21-22-36-46;3*1-2;;;;;/h41-50H,1-40H2;37-46H,7-36H2,1-6H3;3*1-2H3;1H4;4*1H/t66-,67+,68+,69-,70-,71+,72+,73-,74-,75+;38-,39-,62-,63-,64+,65+,66-,67+,68+,69-,70+,71-;;;;;;;;/m.1......../s1
| Identification Number: | 10.5258/ecrystals/931 |
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| Controlled Keywords: | silicon compounds |
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| Date Created: | 11 March 2002 |
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| Deposited On: | 28 Mar 2012 12:58 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C50 H90 O15 Si10 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 15.3777(2) |
| Cell length b | 19.8946(2) |
| Cell length c | 21.2081(3) |
| Cell angle alpha | 72.76 |
| Cell angle beta | 89.25 |
| Cell angle gamma | 83.24 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0557 |
| R Factor (All) | 0.0968 |
| Weighted R Factor (Obs) | 0.1307 |
| Weighted R Factor (All) | 0.1523 |
Citation: Taylor, Peter G. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/931)
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