Information card for entry 1547683

Structure parameters

• Formula: C18 H36 Br7 N12 Pb2
• Calculated formula: C18 H36 Br7 N12 Pb2
• SMILES: Br[Pb]12[Br][Pb]([Br]2)([Br]1)Br.[Br-].[Br-].C1[NH+]2CN3CN1CN(C2)C3.C1[NH+]2CN3CN1CN(C2)C3.C1[NH+]2CN3CN1CN(C2)C3
• Title of publication: Bulk Assembly of Organic Metal Halide Nanotubes
• Authors of publication: Lin, Haoran; Zhou, Chenkun; Tian, Yu; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Zhou, Yan; Bullock, James; Schanze, Kirk; Ming, Wenmei; Du, Mao Hua; Ma, Biwu
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 24.5149 ± 0.0006 Å
• b: 24.5149 ± 0.0006 Å
• c: 9.7646 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5082.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No