Information card for entry 2230707

Structure parameters

• Chemical name: <i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]]
• Formula: C14 H18 I6 N2 Pb2
• Calculated formula: C14 H18 I6 N2 Pb2
• SMILES: [Pb]12([I][Pb]([I]1)[I]2)(I)(I)I.[n+]1(ccc(cc1)CCc1cc[n+](cc1)C)C
• Title of publication: <i>catena</i>-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-diyl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]]
• Authors of publication: Xu, Guohai; He, Xiyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m847
• a: 10.12 ± 0.006 Å
• b: 17.575 ± 0.01 Å
• c: 8.025 ± 0.004 Å
• α: 90°
• β: 101.239 ± 0.01°
• γ: 90°
• Cell volume: 1399.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes