Information card for entry 1542878

Structure parameters

• Chemical name: Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)
• Formula: C39 H90 Bi3 I12 N9
• Calculated formula: C39 H90 Bi3 I12 N9
• SMILES: [Bi]12(I)(I)(I)[I][Bi]34([I]1)([I]2)[I][Bi]([I]3)([I]4)(I)(I)I.[N+](=C(N(CC)CC)N(CC)CC)(CC)CC.[N+](=C(N(CC)CC)N(CC)CC)(CC)CC.[N+](=C(N(CC)CC)N(CC)CC)(CC)CC
• Title of publication: Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexaethylguanidinium) dodecaiodidotribismuthate(III)
• Authors of publication: Tiritiris, Ioannis; Knobloch, Georg; Saur, Stefan; Kantlehner, Willi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160391
• a: 18.7962 ± 0.0011 Å
• b: 18.7962 ± 0.0011 Å
• c: 36.666 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11218.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes