Information card for entry 2108106

Structure parameters

• Chemical name: Piperazine-1,4-diium diiodide diiodine
• Formula: C4 H12 I4 N2
• Calculated formula: C4 H12 I4 N2
• SMILES: [I-].II.[I-].[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: 6.5154 ± 0.0006 Å
• b: 7.4946 ± 0.0007 Å
• c: 8.1299 ± 0.0006 Å
• α: 64.759 ± 0.009°
• β: 68.019 ± 0.008°
• γ: 69.5 ± 0.009°
• Cell volume: 324.27 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes