Information card for entry 4331004

Structure parameters

• Formula: C23 H23 Cu F12 N4 O6
• Calculated formula: C23 H23 Cu F12 N4 O6
• 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: 14.2286 ± 0.0011 Å
• b: 15.1117 ± 0.0011 Å
• c: 16.2854 ± 0.0011 Å
• α: 89.606 ± 0.005°
• β: 77.58 ± 0.005°
• γ: 63.539 ± 0.005°
• Cell volume: 3045.6 ± 0.4 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.174
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No