Information card for entry 2201800

Structure parameters

• Chemical name: Bis[tris(1,2-ethanediamine-κ^2^N,N')manganese] pentaselenodiantimonate(III)
• Formula: C12 H48 Mn2 N12 Sb2 Se5
• Calculated formula: C12 H48 Mn2 N12 Sb2 Se5
• SMILES: C1C[NH2][Mn]23([NH2]CC[NH2]2)([NH2]1)[NH2]CC[NH2]3.C1C[NH2][Mn]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[Sb]([Se][Sb]([Se-])[Se-])([Se-])[Se-]
• Title of publication: Twinned bis[tris(1,2-ethanediamine-κ^2^<i>N,N</i>')manganese(II)] pentaselenodiantimonate(III)
• Authors of publication: Näther, Christian; Wendland, Frank; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m119 - m121
• a: 19.909 ± 0.003 Å
• b: 9.041 ± 0.001 Å
• c: 20.015 ± 0.003 Å
• α: 90°
• β: 106.928 ± 0.017°
• γ: 90°
• Cell volume: 3446.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes