Sample Originator: Gonul Yenilmez-Ciftci, Robert A Shaw, Thomas A. Mayer, A. Kilic, Michael B. Hursthouse, David B. Davies and Simon J. Coles.
C42H86N18P6
InChI=1/C42H54N18P6/c1(23-51-41-19-21-43-61(51)45-63(53-25-3-4-26-53,54-27-5-6-28-54)49-64(46-61,55-29-7-8-30-55)56-31-9-10-32-56)2-24-52-42-20-22-44-62(52)47-65(57-33-11-12-34-57,58-35-13-14-36-58)50-66(48-62,59-37-15-16-38-59)60-39-17-18-40-60/h3-18,25-40,43-44H,1-2,19-24,41-42H2
| Identification Number: | 10.5258/ecrystals/142 |
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| Controlled Keywords: | substituted cyclophosphazene, structure-property relationship, phosphorus nitrogen compounds |
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| Date Created: | 24 September 2004 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Data collection parameters
| Chemical formula | C42 H54 N18 P6 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 30.586(10) |
| Cell length b | 9.660(2) |
| Cell length c | 18.449(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.599(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1332 |
| R Factor (Obs) | 0.1405 |
| R Factor (All) | 0.2750 |
| Weighted R Factor (Obs) | 0.2593 |
| Weighted R Factor (All) | 0.3149 |
Citation: Yenilmez-Ciftci, Gonul and Shaw, Robert A and Mayer, Thomas A. and Kilic, A. and Hursthouse, Michael B. and Davies, David B. and Coles, Simon J. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/142)
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