Information card for entry 2207157

Structure parameters

• Chemical name: tris(acetic acid-κO)-μ~3~-oxo-hexakis(μ~2~-trichloroacetato- κ^2^O:O')trimanganese(II,III,III)
• Formula: C18 H12 Cl18 Mn3 O19
• Calculated formula: C18 H12 Cl18 Mn3 O19
• SMILES: [Mn]1234([O]6[Mn]5(OC(=[O]1)C(Cl)(Cl)Cl)([O]=C(O2)C(Cl)(Cl)Cl)(OC(=[O][Mn]6(OC(=[O]5)C(Cl)(Cl)Cl)(OC(=[O]3)C(Cl)(Cl)Cl)([O]=C(O4)C(Cl)(Cl)Cl)[O]=C(O)C)C(Cl)(Cl)Cl)[O]=C(O)C)[O]=C(O)C
• Title of publication: A trinuclear mixed-valence manganese carboxylate: tris(acetic acid-κ<i>O</i>)-μ~3~-oxo-hexakis(μ~2~-trichloroacetato-κ^2^<i>O</i>:<i>O</i>')trimanganese(II,III,III)
• Authors of publication: Lis, Tadeusz; Kinzhybalo, Vasyl; Zieba, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2382 - m2384
• a: 10.121 ± 0.003 Å
• b: 10.424 ± 0.003 Å
• c: 22.891 ± 0.005 Å
• α: 88.01 ± 0.03°
• β: 79.45 ± 0.03°
• γ: 65.94 ± 0.03°
• Cell volume: 2165.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes