Information card for entry 4063887

Structure parameters

• Common name: [(η^5^-C~5~Me~5~)Ru(=C=C=CPh~2~){κ^2^ P,N-^i^Pr~2~PNH(C~5~H~4~N)}][PF~6~]
• Chemical name: {(diisopropyl-phosphanyl)-(pyridin-2-yl)-amine-κ^2^-P,N}-(diphenyl- allenylidene)-(pentahapto-pentamethyl-cyclopentadienyl)-ruthenium(II) hexafluorophosphate
• Formula: C36 H44 F6 N2 P2 Ru
• Calculated formula: C36 H44 F6 N2 P2 Ru
• SMILES: [Ru]12345([P](Nc6[n]1cccc6)(C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)=C=C=C(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6]
• Authors of publication: Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 726
• a: 12.261 ± 0.003 Å
• b: 12.315 ± 0.003 Å
• c: 13.56 ± 0.003 Å
• α: 86.55 ± 0.03°
• β: 67.76 ± 0.03°
• γ: 67.18 ± 0.03°
• Cell volume: 1737.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No