Information card for entry 7709280

Structure parameters

• Chemical name: C32H35N6O4Ru
• Formula: C32 H34 N6 O4 Ru
• Calculated formula: C32 H34 N6 O4 Ru
• SMILES: [Ru]123(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)[N](=Nc1n(c2c([n]31)cccc2)C)c1n(c2c(n1)cccc2)C.c1ccccc1
• 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: 10.0985 ± 0.0003 Å
• b: 12.252 ± 0.0003 Å
• c: 12.9961 ± 0.0003 Å
• α: 104.342 ± 0.002°
• β: 98.741 ± 0.002°
• γ: 94.354 ± 0.002°
• Cell volume: 1528.89 ± 0.07 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: 0.0544
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No