Information card for entry 4120556

Structure parameters

• Common name: [PbBr4](NMPDA)
• Formula: C4 H14 Br4 N2 Pb
• Calculated formula: C4 H14 Br4 N2 Pb
• Title of publication: Self-assembly of broadband white-light emitters.
• Authors of publication: Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1718 - 1721
• a: 8.3162 ± 0.0004 Å
• b: 8.3161 ± 0.0003 Å
• c: 20.1181 ± 0.0009 Å
• α: 90°
• β: 101.695 ± 0.002°
• γ: 90°
• Cell volume: 1362.45 ± 0.1 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: 0.0822
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No