Information card for entry 7709283

Structure parameters

• Formula: C48 H42 B2 Cu2 F8 N18
• Calculated formula: C48 H42 B2 Cu2 F8 N18
• 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: 12.0872 ± 0.0006 Å
• b: 12.9737 ± 0.0004 Å
• c: 18.0164 ± 0.0007 Å
• α: 107.07 ± 0.003°
• β: 101.629 ± 0.004°
• γ: 90.142 ± 0.003°
• Cell volume: 2639.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No