Information card for entry 4325032

Structure parameters

• Formula: C11 H17 N4 O
• Calculated formula: C11 H17 N4 O
• SMILES: O=[N]1C(C)(C)C(N=C1c1n(cnc1)C)(C)C
• Title of publication: "Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes
• Authors of publication: Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4307 - 4312
• a: 6.282 ± 0.009 Å
• b: 11.751 ± 0.016 Å
• c: 15.48 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1143 ± 3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No