Information card for entry 7025055

Structure parameters

• Formula: C84 H84 Mn8 N16 O18
• Calculated formula: C84 H84 Mn8 N16 O18
• Title of publication: High nuclearity manganese(iii) compounds containing phenol-pyrazole ligands: the influence of the ligand on the core geometry
• Authors of publication: Viciano-Chumillas, Marta; de Ruiter, Graham; Tanase, Stefania; Smits, Jan M. M.; de Gelder, René; Mutikainen, Ilpo; Turpeinen, Urho; de Jongh, L. Jos; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4991
• a: 15.284 ± 0.003 Å
• b: 15.918 ± 0.003 Å
• c: 18.924 ± 0.003 Å
• α: 82.82 ± 0.03°
• β: 69.5 ± 0.03°
• γ: 84.94 ± 0.03°
• Cell volume: 4273.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No