Information card for entry 7108156

Structure parameters

• Formula: C246 H388 K6 N12 Ni6 O18
• Calculated formula: C246 H388 K6 N12 Ni6 O18
• Title of publication: CO oxidation at nickel centres by N2O or O2 to yield a novel hexanuclear carbonate
• Authors of publication: Bettina Horn; Christian Limberg; Christian Herwig; Michael Feist; Stefan Mebs
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8243
• a: 16.165 ± 0.003 Å
• b: 21.255 ± 0.004 Å
• c: 41.304 ± 0.008 Å
• α: 90°
• β: 95.56 ± 0.03°
• γ: 90°
• Cell volume: 14125 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No