Information card for entry 7114141

Structure parameters

• Common name: [Mn16O16(OMe)6(OAc)16(MeOH)3(H2O)3].6H2O
• Formula: C41 H96 Mn16 O66
• Calculated formula: C41 H85 Mn16 O66.112
• Title of publication: Synthesis, structure and magnetism of a new manganese carboxylate cluster: [Mn16O16(OMe)6(OAc)16(MeOH)3(H2O)3]·6H2O
• Authors of publication: Price, David J.; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 762
• a: 12.8547 ± 0.0002 Å
• b: 14.4366 ± 0.0002 Å
• c: 14.459 ± 0.0002 Å
• α: 108.276 ± 0.001°
• β: 116.273 ± 0.001°
• γ: 96.9 ± 0.001°
• Cell volume: 2176.49 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No