Information card for entry 4321933

Structure parameters

• Formula: C63 H53 Ce Co4 N15 O27
• Calculated formula: C59.5 H48.5 Ce Co4 N14.5 O26.6667
• Title of publication: [Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts
• Authors of publication: Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1834 - 1841
• a: 22.603 ± 0.004 Å
• b: 34.759 ± 0.006 Å
• c: 18.167 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14273 ± 4 ų
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No