Information card for entry 4068370

Structure parameters

• Formula: C33 H47 Cl N P Ru Si
• Calculated formula: C33 H47 Cl N P Ru Si
• SMILES: [RuH]12345([P](C6=C(N(C1)C)Cc1c6cccc1)(C(C)C)C(C)C)([SiH](Cl)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)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: 9.224 ± 0.0013 Å
• b: 9.8579 ± 0.0014 Å
• c: 35.255 ± 0.005 Å
• α: 90°
• β: 95.641 ± 0.002°
• γ: 90°
• Cell volume: 3190.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No