Information card for entry 4336451

Structure parameters

• Formula: C57 H30 Bi2 Cl12 I6 N6 O6
• Calculated formula: C57 H30 Bi2 Cl12 I6 N6 O6
• 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: 12.6366 ± 0.0007 Å
• b: 14.5777 ± 0.0007 Å
• c: 18.8823 ± 0.001 Å
• α: 87.431 ± 0.002°
• β: 88.934 ± 0.002°
• γ: 74.979 ± 0.002°
• Cell volume: 3356 ± 0.3 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: 0.0413
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No