Information card for entry 4331001

Structure parameters

• Formula: C13 H21 N4 O2
• Calculated formula: C13 H21 N4 O2
• 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: 10.5022 ± 0.0004 Å
• b: 12.7915 ± 0.0006 Å
• c: 11.1556 ± 0.0005 Å
• α: 90°
• β: 97.851 ± 0.003°
• γ: 90°
• Cell volume: 1484.58 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No