Information card for entry 4128613

Structure parameters

• Formula: C10 H28 Cl14 N4 Pb5
• Calculated formula: C10 H28 Cl14 N4 Pb5
• SMILES: [C@H]1(C[NH2+]CCC1)[NH3+].[Cl-].Cl[Pb]12[Cl][Pb]([Cl]1)([Cl]2)Cl.[Cl-].[C@@H]1(CCC[NH2+]C1)[NH3+].[Cl-].[Cl-].[Pb]123[Cl][Pb]45[Cl][Pb]([Cl]24)([Cl]35)[Cl]1
• Title of publication: Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.
• Authors of publication: Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 31
• Pages of publication: 12197 - 12201
• a: 10.7997 ± 0.0004 Å
• b: 18.2694 ± 0.0006 Å
• c: 16.827 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3320 ± 0.2 ų
• Cell temperature: 285 ± 2 K
• Ambient diffraction temperature: 285.15 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No