Information card for entry 4116278

Structure parameters

• Chemical name: methylviologen lead(II) iodide
• Formula: C12 H14 I6 N2 Pb2
• Calculated formula: C12 H14 I6 N2 Pb2
• SMILES: [n+]1(C)ccc(cc1)c1cc[n+](C)cc1.I[Pb]23(I)(I)[I][Pb]([I]2)[I]3
• Title of publication: A Methylviologen Lead(II) Iodide: Novel [PbI3-]∞Chains with Mixed Octahedral and Trigonal Prismatic Coordination
• Authors of publication: Zhongjia Tang; Arnold M. Guloy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 452 - 453
• a: 12.3729 ± 0.0004 Å
• b: 12.3729 ± 0.0004 Å
• c: 12.3729 ± 0.0004 Å
• α: 79.96°
• β: 79.96°
• γ: 79.96°
• Cell volume: 1816.23 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.0951
• Goodness-of-fit parameter for all reflections: 1.174
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No