Information card for entry 4323895

Structure parameters

• Formula: C56 H112 Cl16 Mn4 O14 Sn2
• Calculated formula: C56 H112 Cl16 Mn4 O14 Sn2
• SMILES: [O]1(CCCC1)[Mn]12([O]3CCCC3)([Cl][Mn]3([O]4CCCC4)([O]4CCCC4)([Cl]2)[Cl][Mn]([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[Cl]3)[Cl][Mn]([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[Cl]1.[O]1([Sn](Cl)(Cl)(Cl)(Cl)Cl)CCCC1.[O]1([Sn](Cl)(Cl)(Cl)(Cl)Cl)CCCC1
• Title of publication: Formation of Mono- and Multimanganese Cationic Species. Crystal Structure of [Mn4(μ-Cl)6(THF)12][SnCl5(THF)]2
• Authors of publication: Zofia Janas; Tadeusz Lis; Piotr Sobota
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5737 - 5739
• a: 10.354 ± 0.012 Å
• b: 16.79 ± 0.015 Å
• c: 24.35 ± 0.03 Å
• α: 90°
• β: 93.2 ± 0.09°
• γ: 90°
• Cell volume: 4226 ± 8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0277
• Weighted residual factors for all reflections: 0.0658
• Goodness-of-fit parameter for all reflections: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No