Information card for entry 2208508

Structure parameters

• Chemical name: 2-Ammoniopropylammonium μ-dodecasulfido-tetrasulfidodecaantimony
• Formula: C3 H12 N2 S16 Sb10
• Calculated formula: C3 H12 N2 S16 Sb10
• SMILES: [Sb]1([S-])S[Sb]2S[Sb](S1)S[Sb]([S])S[Sb]1S[Sb](S1)S[Sb]([S])S[Sb]1S[Sb](S[Sb](S1)[S-])S[Sb](S[Sb]1S[Sb](S[Sb](S[Sb]3S[Sb]([S-])S[Sb]S3)S2)S1)S[Sb]1S[Sb]S[Sb](S1)[S-].C(C(C)[NH3+])[NH3+].C(C(C)[NH3+])[NH3+]
• Title of publication: 2-Ammoniopropylammonium dodeca-μ-sulfido-tetrasulfidodecaantimony
• Authors of publication: Puls, Angela; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m674 - m676
• a: 17.48 ± 0.003 Å
• b: 10.922 ± 0.002 Å
• c: 18.03 ± 0.003 Å
• α: 90°
• β: 111.415 ± 0.01°
• γ: 90°
• Cell volume: 3204.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No