Information card for entry 2108107

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: 6.4948 ± 0.0005 Å
• b: 7.4032 ± 0.0006 Å
• c: 8.0819 ± 0.0005 Å
• α: 64.087 ± 0.007°
• β: 67.276 ± 0.007°
• γ: 69.593 ± 0.007°
• Cell volume: 314.73 ± 0.05 ų
• Cell temperature: 85 ± 0.5 K
• Ambient diffraction temperature: 85 ± 0.5 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: 0.0241
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes