Information card for entry 2201047

Structure parameters

• Chemical name: tetra(4-hydroxypyridinium) bis((μ~2~-iodo)tetraiodobismuthate(III)) 4-pyridone tetrasolvate
• Formula: C40 H44 Bi2 I10 N8 O8
• Calculated formula: C40 H44 Bi2 I10 N8 O8
• SMILES: c1cc(cc[nH+]1)O.c1(cc[nH]cc1)=O.I[Bi]1(I)(I)(I)[I][Bi](I)(I)(I)(I)[I]1.[nH+]1ccc(O)cc1.[nH]1ccc(=O)cc1.c1cc(cc[nH+]1)O.c1cc(cc[nH]1)=O.[nH+]1ccc(O)cc1.[nH]1ccc(=O)cc1
• Title of publication: A bis[pentaiodobismuthate(III)] salt of 4-hydroxypyridinium
• Authors of publication: Jonathan P. H. Charmant; Nicholas C. Norman; Jonathan Starbuck
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m144 - m146
• a: 10.366 ± 0.003 Å
• b: 12.362 ± 0.003 Å
• c: 13.504 ± 0.005 Å
• α: 116.212 ± 0.013°
• β: 95.05 ± 0.02°
• γ: 92.914 ± 0.016°
• Cell volume: 1538.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1002
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes