Information card for entry 4331002

Structure parameters

• Formula: C13 H21 N4 O2
• Calculated formula: C13 H21 N4 O2
• SMILES: O=[N]1C(C)(C)C(C)(C)N(=O)=C1c1cnn(CC)c1C
• Title of publication: First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical
• Authors of publication: Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12188 - 12194
• a: 11.3771 ± 0.0017 Å
• b: 14.03 ± 0.003 Å
• c: 18.121 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2892.5 ± 0.9 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.204
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.749
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No