Information card for entry 4318339

Structure parameters

• Formula: C64 H54 B3 Cl8 F12 N20 Ni5 O
• Calculated formula: C64 H54 B3 Cl8 F12 N20 Ni5 O
• Title of publication: Unsymmetrical Linear Pentanuclear Nickel String Complexes: [Ni5(tpda)4(H2O)(BF4)](BF4)2 and [Ni5(tpda)4(SO3CF3)2](SO3CF3)
• Authors of publication: Chen-Yu Yeh; Yi-Li Chiang; Gene-Hsiang Lee; Shie-Ming Peng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4096 - 4098
• a: 15.3022 ± 0.0001 Å
• b: 31.0705 ± 0.0003 Å
• c: 15.8109 ± 0.0002 Å
• α: 90°
• β: 92.2425 ± 0.0004°
• γ: 90°
• Cell volume: 7511.49 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No