Information card for entry 4068372

Structure parameters

• Formula: C33 H43 B N O2 P Ru
• Calculated formula: C33 H43 B N O2 P Ru
• SMILES: [Ru]12345([P](C6=C(N(C=5)C)Cc5c6cccc5)(C(C)C)C(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)B1Oc2c(O1)cccc2
• 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: 8.7547 ± 0.0008 Å
• b: 10.0788 ± 0.0009 Å
• c: 19.0325 ± 0.0016 Å
• α: 80.999 ± 0.0011°
• β: 78.336 ± 0.0011°
• γ: 70.1735 ± 0.0011°
• Cell volume: 1540.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No