Information card for entry 4068369

Structure parameters

• Formula: C39 H52 N P Ru Si
• Calculated formula: C39 H52 N P Ru Si
• SMILES: [Ru]123456([H][SiH]1(c1ccccc1)c1ccccc1)([P](C1=C(N(C6)C)Cc6c1cccc6)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 10.451 ± 0.0017 Å
• b: 32.927 ± 0.004 Å
• c: 11.0385 ± 0.0016 Å
• α: 90°
• β: 114.777 ± 0.01°
• γ: 90°
• Cell volume: 3448.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.133
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No