Information card for entry 7114269

Structure parameters

• Formula: C43 H72 Cl2 P2 Ru
• Calculated formula: C43 H72 Cl2 P2 Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)#[C].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: 9.9665 ± 0.0007 Å
• b: 19.7371 ± 0.0015 Å
• c: 21.5048 ± 0.0016 Å
• α: 90°
• β: 92.128 ± 0.001°
• γ: 90°
• Cell volume: 4227.3 ± 0.5 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: 0.1132
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 3.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No