Information card for entry 7114270

Structure parameters

• Formula: C4 H12 Cl2 Pd S2
• Calculated formula: C4 H12 Cl2 Pd S2
• SMILES: [S](C)(C)[Pd](Cl)([S](C)C)Cl
• Title of publication: Terminal ruthenium carbido complexes as ??-donor ligandsElectronic supplementary information (ESI) available: additional crystallographic information. See http://www.rsc.org/suppdata/cc/b2/b207903h/
• Authors of publication: Hejl, Andrew; Trnka, Tina M.; Day, Michael W.; Grubbs, Robert H.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2524
• a: 8.3567 ± 0.001 Å
• b: 5.9396 ± 0.0007 Å
• c: 10.0652 ± 0.0016 Å
• α: 90°
• β: 106.321 ± 0.002°
• γ: 90°
• Cell volume: 479.46 ± 0.11 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No