Information card for entry 4003552

Structure parameters

• Formula: C42 H54 Br12 N12 O6 Pb3
• Calculated formula: C42 H54 Br12 N12 O6 Pb3
• SMILES: Br[Pb]12(Br)(Br)[Br][Pb]34([Br]1)([Br]2)[Br][Pb]([Br]3)([Br]4)(Br)(Br)Br.c1cccc[n+]1CC(=O)N.c1cccc[n+]1CC(=O)N.c1cccc[n+]1CC(=O)N.c1cccc[n+]1CC(=O)N.c1cccc[n+]1CC(=O)N.c1cccc[n+]1CC(=O)N
• 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: 15.4933 ± 0.0003 Å
• b: 15.4933 ± 0.0003 Å
• c: 24.3672 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5065.52 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No