Information card for entry 7000026

Structure parameters

• Formula: C106 H106 N11 Ni6 O31
• Calculated formula: C104 H102 N10 Ni6 O30.648
• Title of publication: Synthesis, structure and magnetism of a new ferromagnetic hexanuclear nickel cluster with a dicubane-like core.
• Authors of publication: Wörl, Stefan; Pritzkow, Hans; Fritsky, Igor O.; Krämer, Roland
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 27 - 29
• a: 17.9912 ± 0.0011 Å
• b: 12.707 ± 0.0008 Å
• c: 22.8638 ± 0.0014 Å
• α: 90°
• β: 91.285 ± 0.001°
• γ: 90°
• Cell volume: 5225.7 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No