Information card for entry 7112177

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-cobalt(II) tridecaacetone solvate
• Formula: C311 H554 Co12 Cr12 N16 O125
• Calculated formula: C311 H554 Co12 Cr12 N16 O125
• 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: 39.679 ± 0.004 Å
• b: 26.582 ± 0.003 Å
• c: 43.235 ± 0.005 Å
• α: 90°
• β: 114.472 ± 0.005°
• γ: 90°
• Cell volume: 41505 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No