Information card for entry 2017127

Structure parameters

• Chemical name: poly[[hexa-μ~3~-acetato-trimanganese(II)] acetonitrile solvate]
• Formula: C14 H21 Mn3 N O12
• Calculated formula: C14 H21 Mn3 N O12
• Title of publication: Mn~3~(OAc)~6~·CH~3~CN: a porous dehydrated manganese(II) acetate
• Authors of publication: Fielden, John; Kögerler, Paul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m224 - m227
• a: 10.788 ± 0.002 Å
• b: 12.702 ± 0.002 Å
• c: 15.784 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2162.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes