Information card for entry 2019978

Structure parameters

• Chemical name: Poly[bis(μ~2~-pyrimidine-2-thiolato-κ^4^<i>N</i>^1^,<i>S</i>:<i>S</i>,<i>N</i>^3^)lead(II)]
• Formula: C8 H6 N4 Pb S2
• Calculated formula: C8 H6 N4 Pb S2
• SMILES: c1([S-])ncccn1.c1([S-])ncccn1.[Pb+2]
• Title of publication: A three-dimensional metal‒organic polymer: poly[bis(μ2-pyrimidine-2-thiolato-κ4N1,S:S,N3)lead(II)]
• Authors of publication: Schwade, Vania Denise; Lang, Ernesto Schulz; Floriano, Luana
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: 1
• a: 7.6296 ± 0.0003 Å
• b: 7.8839 ± 0.0003 Å
• c: 18.1151 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1089.64 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.687
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes