Information card for entry 4320017

Structure parameters

• Chemical name: Dibromo(4-pyrimidinylnitronylnitroxide)copper(II)
• Formula: C11 H15.6 Br2 Cu N4 O2.3
• Calculated formula: C11 H15 Br2 Cu N4 O2.3
• Title of publication: Radical-Copper Wheels: Structure and Magnetism of Hexanuclear Hybrid Arrays
• Authors of publication: Junichi Omata; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3954 - 3958
• a: 28.172 ± 0.002 Å
• b: 28.172 ± 0.002 Å
• c: 12.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8653.5 ± 1.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2323
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No