Information card for entry 2007680

Structure parameters

• Chemical name: Dekakis(acetato)bis(μ~4~-oxo)tetrakis(piridine) dimanganese(III)tetramanganese(II) pyridine solvate
• Formula: C45 H55 Mn6 N5 O22
• Calculated formula: C44 H54 Mn6 N6 O22
• SMILES: c1cnccn1.[O]12C(C)=[O][Mn]345([O]6[Mn]789%10([Mn]%11%12%13%141[O]17[Mn]7([n]%15ccccc%15)([O]9C(=[O][Mn]([O]38%11)([O]%14C(=[O]7)C)([n]3ccccc3)([O]=C(O5)C)OC(=[O]%13)C)C)([O]=C(O%10)C)OC(C)=[O][Mn]21([O]=C6C)([n]1ccccc1)OC(=[O]%12)C)[O]=C(O4)C)[n]1ccccc1
• Title of publication: Deca-μ-acetato-di-μ~4~-oxo-tetra(pyridine-<i>N</i>)dimanganese(III)tetramanganese(II) Pyridine Solvate
• Authors of publication: Karsten, Peter; Strähle, Joachim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1403 - 1406
• a: 25.601 ± 0.008 Å
• b: 12.694 ± 0.003 Å
• c: 18.153 ± 0.005 Å
• α: 90°
• β: 107.608 ± 0.012°
• γ: 90°
• Cell volume: 5623 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections: 1.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No