Information card for entry 4003551

Structure parameters

• Formula: C72 H72 Cl12 N6 Pb3
• Calculated formula: C72 H72 Cl12 N6 Pb3
• SMILES: Cl[Pb]12(Cl)(Cl)[Cl][Pb]34([Cl]1)([Cl]2)[Cl][Pb]([Cl]3)([Cl]4)(Cl)(Cl)Cl.c1cccc[n+]1Cc1ccccc1.c1cccc[n+]1Cc1ccccc1.c1cccc[n+]1Cc1ccccc1.c1cccc[n+]1Cc1ccccc1.c1cccc[n+]1Cc1ccccc1.c1cccc[n+]1Cc1ccccc1
• 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: 17.1827 ± 0.0007 Å
• b: 17.1827 ± 0.0007 Å
• c: 21.6452 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5534.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0839
• 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