Information card for entry 2216438

Structure parameters

• Chemical name: poly[[bis(μ-1,2-bis{[2-(2-pyridyl)-1H-imidazol-1-yl]methyl}benzene)lead(II)] dithiocyanate]
• Formula: C50 H40 N14 Pb S2
• Calculated formula: C50 H40 N14 Pb S2
• SMILES: c1cn(c(c2ccccn2)n1)Cc1c(Cn2ccnc2c2ncccc2)cccc1.C(#N)[S-].c1cccc(c2n(ccn2)Cc2ccccc2Cn2ccnc2c2ccccn2)n1.N#C[S-].[Pb+2]
• Title of publication: Poly[[bis(μ-1,2-bis{[2-(2-pyridyl)-1<i>H</i>-imidazol-1-yl]methyl}benzene)lead(II)] dithiocyanate]
• Authors of publication: Rui-Hai Cui; Ya-Qian Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3051 - m3051
• a: 23.956 ± 0.0008 Å
• b: 12.667 ± 0.0008 Å
• c: 18.356 ± 0.0009 Å
• α: 90°
• β: 126.593 ± 0.001°
• γ: 90°
• Cell volume: 4472.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes