Information card for entry 4336454

Structure parameters

• Formula: C47 H66 Bi I3 N6 O13 S3
• Calculated formula: C47 H66 Bi I3 N6 O13 S3
• Title of publication: Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)
• Authors of publication: Pauline J. Han; Arnold L. Rheingold; William C. Trogler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12033 - 12045
• a: 12.36 ± 0.002 Å
• b: 15.926 ± 0.003 Å
• c: 16.503 ± 0.003 Å
• α: 111.787 ± 0.006°
• β: 107.069 ± 0.007°
• γ: 95.822 ± 0.007°
• Cell volume: 2801.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No