Information card for entry 4306211

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)) iodobutane solvate
• Formula: C26 H29.5 Cu F12 I0.5 N4 O6
• Calculated formula: C26 H29.5 Cu F12 I0.5 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: 10.7839 ± 0.0018 Å
• b: 13.273 ± 0.002 Å
• c: 13.554 ± 0.002 Å
• α: 98.481 ± 0.003°
• β: 111.726 ± 0.003°
• γ: 97.182 ± 0.003°
• Cell volume: 1748.1 ± 0.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No