Information card for entry 7041042

Structure parameters

• Formula: C74 H86 N6 Ni4 O12
• Calculated formula: C74 H86 N6 Ni4 O12
• Title of publication: Solvent-induced structural diversity in tetranuclear Ni(ii) Schiff-base complexes: the first Ni4 single-molecule magnet with a defective dicubane-like topology.
• Authors of publication: Herchel, Radovan; Nemec, Ivan; Machata, Marek; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18622 - 18634
• a: 12.5714 ± 0.0006 Å
• b: 15.1014 ± 0.001 Å
• c: 21.0065 ± 0.0013 Å
• α: 90°
• β: 111.223 ± 0.004°
• γ: 90°
• Cell volume: 3717.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No