Information card for entry 2211567

Structure parameters

• Chemical name: Tetrakis(<i>N</i>-ethyl-9-oxo-4-azonia-5-aza-9H-fluorene) tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate
• Formula: C52 H44 Bi6 I22 N8 O4
• Calculated formula: C52 H44 Bi6 I22 N8 O4
• SMILES: C1(=O)c2ccc[n+](c2c2c1cccn2)CC.[n+]1(cccc2C(=O)c3c(nccc3)c12)CC.C1(=O)c2ccc[n+](c2c2c1cccn2)CC.[n+]1(cccc2C(=O)c3c(nccc3)c12)CC.I[Bi]12(I)(I)[I][Bi]34(I)(I)[I]1[Bi]15(I)([I]2)[I]3[Bi]23([I]4)(I)[I]1[Bi]1(I)(I)([I]5)[I]2[Bi](I)(I)(I)([I]3)[I]1
• Title of publication: Tetrakis(<i>N</i>-ethyl-9-oxo-4-azonia-5-aza-9<i>H</i>-fluorene) tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate
• Authors of publication: Tershansy, Meredith A.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3269 - m3271
• a: 13.3944 ± 0.001 Å
• b: 17.0764 ± 0.0012 Å
• c: 40.71 ± 0.003 Å
• α: 90°
• β: 92.589 ± 0.001°
• γ: 90°
• Cell volume: 9302 ± 1.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes