Information card for entry 7705071

Structure parameters

• Formula: C30 H22 Bi2 Cl6 N6
• Calculated formula: C30 H22 Bi2 Cl6 N6
• Title of publication: Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.
• Authors of publication: Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11756 - 11771
• a: 12.7368 ± 0.0006 Å
• b: 9.4838 ± 0.0004 Å
• c: 13.6313 ± 0.0006 Å
• α: 90°
• β: 102.088 ± 0.001°
• γ: 90°
• Cell volume: 1610.06 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No