Information card for entry 4087071

Structure parameters

• Formula: C21 H13 N O5 Ru2
• Calculated formula: C21 H13 N O5 Ru2
• SMILES: [Ru]12345([Ru]6([n]7c(cccc7)[c]73[c]1([cH]5[c]14[c]27cc(cc1)C)C6)(C#[O])(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: 15.946 ± 0.003 Å
• b: 16.474 ± 0.003 Å
• c: 15.387 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4042.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No