Information card for entry 2201837

Structure parameters

• Formula: C18 H64 Mn2 N12 O2 S8 Sb4
• Calculated formula: C18 H64 Mn2 N12 O2 S8 Sb4
• SMILES: [C@H]1(C[NH2][Mn]23([NH2]C[C@H]([NH2]2)C)([NH2]C[C@@H](C)[NH2]3)[NH2]1)C.O.S1[Sb]([S-])S[Sb](S[Sb]([S-])S[Sb]1[S-])[S-].[C@@H]1(C[NH2][Mn]23([NH2]1)([NH2]C[C@H](C)[NH2]2)[NH2]C[C@H](C)[NH2]3)C.O
• Title of publication: Bis[tris(1,3-diaminopropane)manganese(II)] octasulfidotetraantimonate(III) dihydrate
• Authors of publication: Engelke, Lars; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m378 - m380
• a: 9.4773 ± 0.0019 Å
• b: 19.579 ± 0.004 Å
• c: 12.592 ± 0.003 Å
• α: 90°
• β: 91.56 ± 0.03°
• γ: 90°
• Cell volume: 2335.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes