Information card for entry 7709279

Structure parameters

• Formula: C16 H14 N6
• Calculated formula: C16 H14 N6
• 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: 29.8216 ± 0.0012 Å
• b: 5.7535 ± 0.0003 Å
• c: 8.0262 ± 0.0004 Å
• α: 90°
• β: 92.646 ± 0.004°
• γ: 90°
• Cell volume: 1375.66 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No