Information card for entry 4087068

Structure parameters

• Formula: C24 H17 N O5 Ru2
• Calculated formula: C24 H17 N O5 Ru2
• SMILES: [Ru]12345([Ru]678([n]9ccccc9[c]91[c]12[c]3(cccc1)[cH]4[c]59C16CCO[C]71=[CH]8C)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Diruthenium Complexes Derived from Pyridyl-Substituted Indenes
• Authors of publication: Gong, Dawei; Hu, Bowen; Shi, Jing; Ma, Peipei; Wang, Baiquan; Chen, Dafa
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 8.0115 ± 0.0016 Å
• b: 15.292 ± 0.003 Å
• c: 17.322 ± 0.004 Å
• α: 90°
• β: 102.42 ± 0.03°
• γ: 90°
• Cell volume: 2072.5 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No