Information card for entry 7016727

Structure parameters

• Common name: (Ni6(6-mpko)6(ac)6)(MeOH)6.H2O
• Formula: C60 H86 N12 Ni6 O25
• Calculated formula: C60 H86 N12 Ni6 O25
• Title of publication: Use of 6-methylpyridine-2-carbaldehydeoxime in nickel(ii) carboxylate chemistry: synthetic, structural and magnetic properties of penta and hexanuclear complexes.
• Authors of publication: Escuer, Albert; Vlahopoulou, Gina; Mautner, Franz A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10109 - 10116
• a: 18.0582 ± 0.0008 Å
• b: 18.0582 ± 0.0008 Å
• c: 18.8851 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5333.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No