Information card for entry 4317784

Structure parameters

• Common name: compound1
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• Title of publication: Metallonitrosyl Fragment as Electron Acceptor: Intramolecular Charge Transfer, Long Range Electronic Coupling, and Electrophilic Reactivity in the trans-[NCRu(py)4(CN)Ru(py)4NO]3+ Ion
• Authors of publication: Federico Roncaroli; Luis M. Baraldo; Leonardo D. Slep; José A. Olabe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1930 - 1939
• a: 25.1624 ± 0.0014 Å
• b: 10.0062 ± 0.0006 Å
• c: 10.7073 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2695.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.0927
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No