Information card for entry 7001809

Structure parameters

• Formula: C96 H66 Br4 N24 Ni5 O6
• Calculated formula: C96 H66 Br4 N24 Ni5 O6
• Title of publication: Rationally designed chiral Ni5L6 clusters with the in situ generated tridentate ligand. Hydrothermal synthesis, crystal structures, morphology and magnetic properties
• Authors of publication: Feng, Sisi; Zhu, Miaoli; Lu, Liping; Du, Lei; Zhang, Yunbo; Wang, Tianwei
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6385 - 6395
• a: 13.146 ± 0.004 Å
• b: 26.711 ± 0.009 Å
• c: 29.026 ± 0.009 Å
• α: 90°
• β: 105.353 ± 0.013°
• γ: 90°
• Cell volume: 9829 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No