Information card for entry 7038720

Structure parameters

• Chemical name: mars4da
• Formula: C98 H96 Cl Mn4 N1.6 O16
• Calculated formula: C98 H96 Cl Mn4 N1.6 O16
• Title of publication: New tetranuclear manganese clusters with [MnMn(III)] and [MnMn] metallic cores exhibiting low and high spin ground state.
• Authors of publication: Sobocińska, M; Antkowiak, M.; Wojciechowski, M.; Kamieniarz, G.; Utko, J.; Lis, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7303 - 7311
• a: 22.483 ± 0.005 Å
• b: 14.057 ± 0.003 Å
• c: 29.614 ± 0.006 Å
• α: 90°
• β: 111.74 ± 0.02°
• γ: 90°
• Cell volume: 8694 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No