Information card for entry 2017596

Structure parameters

• Chemical name: Tris(diethylammonium) hexachloridoantimonate(III)
• Formula: C12 H36 Cl6 N3 Sb
• Calculated formula: C12 H36 Cl6 N3 Sb
• SMILES: C(C)[NH2+]CC.[Cl-].[Sb](Cl)(Cl)Cl.C(C)[NH2+]CC.C(C)[NH2+]CC.[Cl-].[Cl-]
• Title of publication: Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III)
• Authors of publication: Bujak, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m101 - m103
• a: 14.71917 ± 0.00018 Å
• b: 14.71917 ± 0.00018 Å
• c: 18.9694 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3559.19 ± 0.08 ų
• Cell temperature: 85 ± 0.1 K
• Ambient diffraction temperature: 85 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0095
• Residual factor for significantly intense reflections: 0.0082
• Weighted residual factors for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.478
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes