Information card for entry 2015583

Structure parameters

• Chemical name: Bis[tris(2,2'-bipyridine)ruthenium(II)] di-μ~4~-iodo-octa-μ~2~-iodo-dodecaiodohexabismuthate
• Formula: C60 H48 Bi6 I22 N12 Ru2
• Calculated formula: C60 H48 Bi6 I22 N12 Ru2
• SMILES: c1ccc2c3cccc[n]3[Ru]34([n]2c1)([n]1ccccc1c1[n]3cccc1)[n]1c(c2[n]4cccc2)cccc1.c1ccc2c3cccc[n]3[Ru]34([n]2c1)([n]1ccccc1c1[n]3cccc1)[n]1c(c2[n]4cccc2)cccc1.I[Bi]12(I)(I)[I][Bi]34(I)(I)[I]15[Bi]16(I)([I]3)[I][Bi]3(I)(I)(I)[I]17[Bi](I)(I)([I]3)([I]6)[I][Bi]57(I)([I]2)[I]4
• 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: 12.7346 ± 0.0007 Å
• b: 13.6135 ± 0.0007 Å
• c: 14.5978 ± 0.0008 Å
• α: 91.38 ± 0.001°
• β: 100.077 ± 0.001°
• γ: 92.01 ± 0.001°
• Cell volume: 2489 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes