Information card for entry 4313087

Structure parameters

• Formula: C12 H16 Br5 Cu3 N8
• Calculated formula: C12 H16 Br5 Cu3 N8
• Title of publication: A Novel Hexanuclear Mixed Oxidation State CuII4CuI2 Cluster Complex Exhibiting Weak Ferromagnetic Exchange
• Authors of publication: Zhiqiang Xu; Laurence K. Thompson; David O. Miller; Eliseo Ruiz; Santiago Alvarez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1107 - 1111
• a: 9.253 ± 0.003 Å
• b: 18.159 ± 0.003 Å
• c: 7.199 ± 0.005 Å
• α: 91.31 ± 0.03°
• β: 107.35 ± 0.04°
• γ: 104.22 ± 0.02°
• Cell volume: 1113.1 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections: 1.488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No