Information card for entry 7709282

Structure parameters

• Formula: C36 H42 N6 O8 Ru2
• Calculated formula: C36 H42 N6 O8 Ru2
• SMILES: [Ru]123([O]=C(C=C(O1)C)C)([O]C(C)C=C(O2)C)[N]1=[N]([Ru]24(OC(=CC(=[O]4)C)C)(OC(=CC(=[O]2)C)C)[n]2c1n(c1c2cccc1)C)c1[n]3c2c(n1C)cccc2
• Title of publication: Inner-sphere electron transfer at the ruthenium-azo interface
• Authors of publication: Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.6157 ± 0.0002 Å
• b: 11.8944 ± 0.0003 Å
• c: 15.6228 ± 0.0003 Å
• α: 68.586 ± 0.002°
• β: 89.761 ± 0.002°
• γ: 76.019 ± 0.002°
• Cell volume: 1941.48 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No