Information card for entry 4068368

Structure parameters

• Formula: C30 H49 N P2 Ru
• Calculated formula: C30 H49 N P2 Ru
• SMILES: [Ru]12345([P](C6=C(N(C5)C)Cc5c6cccc5)(C(C)C)C(C)C)([P](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Probing the Dynamics and Reactivity of a Stereochemically Nonrigid Cp*Ru(H)(κ2-P,Carbene) Complex
• Authors of publication: Rankin, Matthew A.; MacLean, Darren F.; McDonald, Robert; Ferguson, Michael J.; Lumsden, Michael D.; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 74
• a: 14.8499 ± 0.001 Å
• b: 10.6117 ± 0.0007 Å
• c: 19.3093 ± 0.0013 Å
• α: 90°
• β: 106.164 ± 0.0008°
• γ: 90°
• Cell volume: 2922.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No