Information card for entry 4077114

Structure parameters

• Formula: C22 H22 Ru
• Calculated formula: C22 H22 Ru
• SMILES: [Ru]12345678([cH]9[cH]1[cH]2[cH]3[c]14ccc2ccccc2[c]591)[CH]1=[CH]6CC[CH]7=[CH]8CC1
• Title of publication: Synthesis of and Stereospecific Hydride Migration in Cationic (Tricyclic arene)(cyclooctadiene)ruthenium(II) Complexes
• Authors of publication: Hirano, Masafumi; Shibasaki, Takao; Komiya, Sanshiro; Bennett, Martin A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5738
• a: 11.158 ± 0.002 Å
• b: 12.752 ± 0.004 Å
• c: 11.969 ± 0.002 Å
• α: 90°
• β: 113.31 ± 0.01°
• γ: 90°
• Cell volume: 1564 ± 0.6 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.802
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No