Information card for entry 4089713

Structure parameters

• Formula: C32 H43 P3 Ru
• Calculated formula: C32 H43 P3 Ru
• SMILES: [Ru]123([P](C)(C)c4ccccc4)([P](C)(C)c4ccccc4)([P](C)(C)c4ccccc4)C4[CH]1=[CH]2C=CC3CC4
• Title of publication: Versatile Coordination Modes and Transformations of the Cyclooctatriene Ligand in Ru(C8H10)L3(L = Tertiary Phosphine)
• Authors of publication: Komiya, Sanshiro; Planas, Jose Giner; Onuki, Koji; Lu, Zhaobin; Hirano, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 4051
• a: 11.143 ± 0.002 Å
• b: 14.934 ± 0.002 Å
• c: 9.254 ± 0.002 Å
• α: 94.49 ± 0.01°
• β: 91.32 ± 0.02°
• γ: 83.02 ± 0.01°
• Cell volume: 1523.7 ± 0.5 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 2.195
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No