Information card for entry 4322653

Structure parameters

• Common name: 6
• Formula: C29 H36 F6 O P2 Ru
• Calculated formula: C29 H36 F6 O P2 Ru
• SMILES: [Ru]123456([P](C[CH]5=[CH2]6)(c5ccccc5)c5ccccc5)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)=C1OCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Hemilabile Properties of the η3-Allyldiphenylphosphine (ADPP) Homophosphaallyl Ligand: Synthesis and Reactions of [(η5-C5Me5)Ru(η3-ADPP)(η1-ADPP)][PF6]
• Authors of publication: Luis P. Barthel-Rosa; Kalyani Maitra; John H. Nelson
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 633 - 639
• a: 9.7115 ± 0.0014 Å
• b: 12.418 ± 0.002 Å
• c: 24.363 ± 0.007 Å
• α: 90°
• β: 99.599 ± 0.015°
• γ: 90°
• Cell volume: 2897 ± 1 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.0805
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No