Information card for entry 2022450

Structure parameters

• Chemical name: Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III)
• Formula: C15 H30 N3 S6 Sb
• Calculated formula: C15 H30 N3 S6 Sb
• SMILES: [Sb]123(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)SC(=[S]3)N(CC)CC
• Title of publication: Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 610 - 614
• a: 12.4204 ± 0.001 Å
• b: 13.5117 ± 0.001 Å
• c: 14.6614 ± 0.0011 Å
• α: 90°
• β: 99.832 ± 0.008°
• γ: 90°
• Cell volume: 2424.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes