Information card for entry 7114271

Structure parameters

• Formula: C51 H84 Cl4 P2 Pd Ru S
• Calculated formula: C51 H84 Cl4 P2 Pd Ru S
• SMILES: [Pd](Cl)(Cl)([S](C)C)C#[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1ccccc1.c1ccccc1
• 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: 9.9306 ± 0.0004 Å
• b: 12.5669 ± 0.0005 Å
• c: 22.8075 ± 0.0009 Å
• α: 87.842 ± 0.001°
• β: 89.414 ± 0.001°
• γ: 67.978 ± 0.001°
• Cell volume: 2636.74 ± 0.18 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.596
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No