Information card for entry 7062345

Structure parameters

• Formula: C26 H28 N6 O4 Ru
• Calculated formula: C26 H28 N6 O4 Ru
• SMILES: [Ru](C#N)(C#N)([n]1ccc(cc1)OC)([n]1ccc(cc1)OC)([n]1ccc(cc1)OC)[n]1ccc(cc1)OC
• Title of publication: Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]
• Authors of publication: Liu, Ming; Xiong, Yan; Xu, Weixiu; Wang, Yong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6796 - 6803
• a: 10.373 ± 0.003 Å
• b: 15.745 ± 0.004 Å
• c: 17.176 ± 0.005 Å
• α: 96.368 ± 0.002°
• β: 105.641 ± 0.004°
• γ: 100.922 ± 0.002°
• Cell volume: 2613.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No