1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazaciclopentadeca-3,8,13-triynepalladium(0)
Sample Originator: Michael B. Hursthouse and Simon J. Coles. C33H33N3O6PdS3 InChI=1/C33H33N3O6S3.Pd/c1-28-10-16-31(17-11-28)43(37,38)34-22-4-6-24-35(44(39,40)32-18-12-29(2)13-19-32)26-8-9-27-36(25-7-5-23-34)45(41,42)33-20-14-30(3)15-21-33;/h10-21H,22-27H2,1-3H3;
| Identification Number: | 10.5258/ecrystals/144 |
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| Controlled Keywords: | Confocal mirror - graphite comparison |
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| Date Created: | 04 October 2004 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Data collection parameters| Chemical formula | C33 H33 N3 O6 Pd S3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 8.5627(2) | | Cell length b | 10.4508(6) | | Cell length c | 35.5429(17) | | Cell angle alpha | 90.00 | | Cell angle beta | 94.294(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 100(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0388 | | R Factor (All) | 0.0461 | | Weighted R Factor (Obs) | 0.0982 | | Weighted R Factor (All) | 0.1104 |
Citation: Hursthouse, Michael B. and Coles, Simon J. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/144)
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