Information card for entry 7004010

Structure parameters

• Formula: C33 H24 O4 Ru
• Calculated formula: C33 H24 O4 Ru
• SMILES: [Ru]1234(C(=O)C)(C#[O])(C#[O])[c]5(O)[c]1([c]2([c]3([c]45c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Formation of acylruthenium promoted by coordination of AlMe3 to (η4-cyclopentadienone)Ru(CO)3
• Authors of publication: Ogoshi, Sensuke; Kato, Tetsuya; Ohashi, Masato; Kurosawa, Hideo
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2232 - 2234
• a: 12.0377 ± 0.0005 Å
• b: 10.454 ± 0.0003 Å
• c: 21.4279 ± 0.0008 Å
• α: 90°
• β: 96.064 ± 0.0013°
• γ: 90°
• Cell volume: 2681.44 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No