Information card for entry 7112178

Structure parameters

• Chemical name: octakis(μ3-hydroxo)-tetrakis(μ2-2,2'-bipyrimidine-N,N',N'',N''') -octakis(μ2-hydroxo)-hexatriacontakis(μ2-pivalato)-tetrakis(pivalato-O,O') -tetrakis(pivalato)-tetrakis(pivalic acid)-dodeca-chromium(III) -dodeca-nickel(II) nonaacetone solvate
• Formula: C299 H530 Cr12 N16 Ni12 O121
• Calculated formula: C299 H527 Cr12 N16 Ni12 O121
• Title of publication: Folded Cr12Co12 and Cr12Ni12 wheels: a sharp increase in nuclearity of heterometallic chromium rings
• Authors of publication: Christian Plenk; Thomas Weyhermuller; Eva Rentschler
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3871
• a: 39.8265 ± 0.0009 Å
• b: 26.8781 ± 0.0007 Å
• c: 43.4526 ± 0.001 Å
• α: 90°
• β: 113.919 ± 0.001°
• γ: 90°
• Cell volume: 42519.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.2212
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No