Information card for entry 4073001

Structure parameters

• Formula: C40 H44 O P2 Ru
• Calculated formula: C40 H44 O P2 Ru
• SMILES: [Ru]1234([P](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[c]13cccc[c]451)C#[O]
• Title of publication: A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding
• Authors of publication: Derrah, Eric J.; Pantazis, Dimitrios A.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1473
• a: 9.8311 ± 0.0012 Å
• b: 12.3025 ± 0.0015 Å
• c: 15.6685 ± 0.0019 Å
• α: 97.7025 ± 0.0017°
• β: 101.461 ± 0.0017°
• γ: 110.89 ± 0.0016°
• Cell volume: 1691.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No