Information card for entry 4329452

Structure parameters

• Formula: C70 H54 F36 N8 Ni7 O20
• Calculated formula: C70 H54 F36 N8 Ni7 O20
• Title of publication: Condensation of a Nickel Tetranuclear Cubane into a Heptanuclear Single-Molecule Magnet
• Authors of publication: Sarah Petit; Petr Neugebauer; Guillaume Pilet; Guillaume Chastanet; Anne-Laure Barra; Arlei B. Antunes; Wolfgang Wernsdorfer; Dominique Luneau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6645 - 6654
• a: 12.705 ± 0.003 Å
• b: 18.746 ± 0.016 Å
• c: 21.701 ± 0.007 Å
• α: 90°
• β: 91.703 ± 0.013°
• γ: 90°
• Cell volume: 5166 ± 5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1593
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections: 0.1441
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No