Information card for entry 2108102

Structure parameters

• Chemical name: Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate
• Formula: C12 H46 I12 N6 O5 Sb2
• Calculated formula: C12 H46 I12 N6 O5 Sb2
• SMILES: I[Sb](I)(I)([I-])([I-])[I-].I[Sb](I)(I)([I-])([I-])[I-].O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• Title of publication: Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
• Authors of publication: Bujak, Maciej
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 432 - 442
• a: 16.205 ± 0.0005 Å
• b: 8.7361 ± 0.0003 Å
• c: 16.4295 ± 0.0005 Å
• α: 90°
• β: 92.216 ± 0.003°
• γ: 90°
• Cell volume: 2324.16 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes