Information card for entry 7038721

Structure parameters

• Chemical name: mars10a
• Formula: C18 H42 Cl4 Mn4 O12
• Calculated formula: C18 H42 Cl4 Mn4 O12
• SMILES: C1C[O]([Mn]234(Cl)[O]1[Mn]156(Cl)[O]7CC[O](C)[Mn]897(Cl)[O](CC[O]9C)[Mn]7([O]21CC[O]7C)(Cl)([O]3CC[O]4C)[O]58CC[O]6C)C
• 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: 11.252 ± 0.003 Å
• b: 13.134 ± 0.004 Å
• c: 11.161 ± 0.003 Å
• α: 90°
• β: 105.16 ± 0.02°
• γ: 90°
• Cell volume: 1592 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No