Information card for entry 7012738

Structure parameters

• Common name: [Ni3Br6(thf)5]
• Formula: C20 H40 Br6 Ni3 O5
• Calculated formula: C20 H40 Br6 Ni3 O5
• Title of publication: The synthesis and properties of a new linear NPN proligand
• Authors of publication: Hitchcock, Peter B.; Lee, Ting Huei; Leigh, G. Jeffery
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2276
• a: 7.5876 ± 0.0011 Å
• b: 21.728 ± 0.003 Å
• c: 9.1261 ± 0.0012 Å
• α: 90°
• β: 92.69 ± 0.005°
• γ: 90°
• Cell volume: 1502.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No