Information card for entry 4003553

Structure parameters

• Formula: C46 H54 Br12 N12 O2 Pb3 S2
• Calculated formula: C46 H54 Br12 N12 O2 Pb3 S2
• 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: 11.1106 ± 0.0005 Å
• b: 15.942 ± 0.0009 Å
• c: 19.7704 ± 0.001 Å
• α: 103.424 ± 0.002°
• β: 91.033 ± 0.002°
• γ: 93.167 ± 0.002°
• Cell volume: 3399.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No