Logo

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
Controlled Keywords:Confocal mirror - graphite comparison
Date Created:04 October 2004
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC33 H33 N3 O6 Pd S3
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a8.5627(2)
Cell length b10.4508(6)
Cell length c35.5429(17)
Cell angle alpha90.00
Cell angle beta94.294(3)
Cell angle gamma90.00
Data collection temperature100(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)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page