Information card for entry 4306201

Structure parameters

• Chemical name: catena-(bis(m2-4,4,5,5-Tetramethyl-2- (1-butylpyrazole-4-yl)-4,5-dihydro-1H- imidazol-3-oxide-1-oxyl)-tetrakis(1, 1,1,5,5,5-hexafluoropentan-2,4- dionato)-di-copper(ii)) bromobutane solvate
• Formula: C26 H29.5 Br0.5 Cu F12 N4 O6
• Calculated formula: C26 H29.5 Br0.5 Cu F12 N4 O6
• Title of publication: Thermally Induced Magnetic Anomalies in Solvates of the Bis(hexafluoroacetylacetonate)copper(II) Complex with Pyrazolyl-Substituted Nitronyl Nitroxide
• Authors of publication: Victor I. Ovcharenko; Galina V. Romanenko; Ksenia Yu. Maryunina; Artem S. Bogomyakov; Elena V. Gorelik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9537 - 9552
• a: 10.502 ± 0.003 Å
• b: 13.177 ± 0.004 Å
• c: 13.445 ± 0.004 Å
• α: 98.646 ± 0.004°
• β: 111.193 ± 0.004°
• γ: 97.421 ± 0.004°
• Cell volume: 1680.7 ± 0.9 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No