Information card for entry 2015582

Structure parameters

• Chemical name: Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate
• Formula: C40 H36 Bi6 I22 N8
• Calculated formula: C40 H32 Bi6 I22 N8
• SMILES: c1cccc(c2ccccn2)[nH+]1.[nH+]1ccccc1c1ncccc1.c1cccc(c2ccccn2)[nH+]1.[nH+]1ccccc1c1ncccc1.I[Bi]12(I)(I)[I][Bi]34(I)(I)[I]1[Bi]15([I]2)(I)[I]3[Bi]23([I]4)(I)[I][Bi]4(I)(I)(I)[I]2[Bi]([I]4)(I)(I)([I]1)[I]35
• Title of publication: Tetrakis[2-(2-pyridyl)pyridinium] tetra-μ~3~-iodo-hexa-μ~2~-iodo-dodecaiodohexabismuthate and bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate
• Authors of publication: Goforth, Andrea M.; Tershansy, Meredith A.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m381 - m385
• a: 11.3334 ± 0.0006 Å
• b: 12.9913 ± 0.0007 Å
• c: 15.7999 ± 0.0009 Å
• α: 78.778 ± 0.001°
• β: 79.52 ± 0.001°
• γ: 66.023 ± 0.001°
• Cell volume: 2071.2 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes