Information card for entry 4069662

Structure parameters

• Formula: C44 H37 Cl4 I O6 Ru2
• Calculated formula: C44 H37 Cl4 I O6 Ru2
• SMILES: [Ru]1234([I][Ru]5678([c]9([c]8([c]7([c]6([c]59C)c5ccccc5)c5ccccc5)C)O)(C#[O])C#[O])([C]5([C]4(=[C]3([C]2(=[C]15C)c1ccccc1)c1ccccc1)C)=O)(C#[O])C#[O].C(Cl)Cl.ClCCl
• Title of publication: Formation of an Iodide-Bridged Diruthenium Complex from [(η5-Ph4C4COH)(CO)2RuI] and [(Ph4C4CO)(CO)2Ru]2: An Efficient Catalyst for Alcohol Oxidation with Ag2O
• Authors of publication: Do, Youngshil; Ko, Soo-Byung; Hwang, In-Chul; Lee, Kyung-Eun; Lee, Soon W.; Park, Jaiwook
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4624
• a: 16.104 ± 0.014 Å
• b: 16.875 ± 0.015 Å
• c: 17.228 ± 0.015 Å
• α: 90°
• β: 104.437 ± 0.015°
• γ: 90°
• Cell volume: 4534 ± 7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No