Information card for entry 4003556

Structure parameters

• Formula: C20 H32 Br5 N2 Pb1.5
• Calculated formula: C20 H32 Br5 N2 Pb1.5
• Title of publication: Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
• Authors of publication: Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 10.9668 ± 0.0005 Å
• b: 11.963 ± 0.0005 Å
• c: 12.1132 ± 0.0006 Å
• α: 114.818 ± 0.002°
• β: 91.946 ± 0.002°
• γ: 96.673 ± 0.002°
• Cell volume: 1426.61 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No