Sample Originator: Duncan W. Brucea.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Exetera
University of Southamptonb
C37H34I2OP2Pt
InChI=1/2C18H15P.C2H2.CH2O2.2HI.H2O.Pt.8H2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;1-2-3-1;;;;;;;;;;;;/h2*1-15H;1-2H;1H2;2*1H;1H2;;8*1H
| Controlled Keywords: | dendrimers, liquid crystals |
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| Date Created: | 25 November 2003 |
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| Deposited On: | 16 Feb 2010 15:29 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
There is a molecule of methanol disordered over three sites.
Data collection parameters
| Chemical formula | C37 H34 I2 O P2 Pt |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.7736(3) |
| Cell length b | 10.4639(2) |
| Cell length c | 17.7391(5) |
| Cell angle alpha | 86.343(2) |
| Cell angle beta | 77.813(1) |
| Cell angle gamma | 70.524(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 31.83 |
| R Factor (Obs) | 0.0397 |
| R Factor (All) | 0.0478 |
| Weighted R Factor (Obs) | 0.0962 |
| Weighted R Factor (All) | 0.0996 |
Citation: Bruce, Duncan W. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1100/)
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