Information card for entry 4336453

Structure parameters

• Formula: C42 H48 Bi N3 O9
• Calculated formula: C42 H48 Bi N3 O9
• SMILES: [Bi]123(Oc4c5[n]1c(ccc5ccc4)C(OCC)OCC)(Oc1c4[n]2c(ccc4ccc1)C(OCC)OCC)Oc1c2[n]3c(ccc2ccc1)C(OCC)OCC
• 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: 16.6906 ± 0.0006 Å
• b: 15.6114 ± 0.0006 Å
• c: 14.9353 ± 0.0006 Å
• α: 90°
• β: 97.527 ± 0.001°
• γ: 90°
• Cell volume: 3858.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No