Information card for entry 4313670

Structure parameters

• Common name: [CuBr(C7H13N3)2]
• Formula: C14 H26 Br Cu N6
• Calculated formula: C14 H26 Br Cu N6
• Title of publication: Structural and Catalytic Properties of Bis(guanidine)copper(I) Halides
• Authors of publication: Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3154 - 3156
• a: 7.2583 ± 0.0003 Å
• b: 14.5542 ± 0.0006 Å
• c: 16.1243 ± 0.0006 Å
• α: 90°
• β: 97.144 ± 0.002°
• γ: 90°
• Cell volume: 1690.13 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No