Information card for entry 2222480

Structure parameters

• Chemical name: Tripotassium bis(acetato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)plumbate(II) dithiocyanate
• Formula: C7 H6 K3 N3 O4 Pb S3
• Calculated formula: C7 H6 K3 N3 O4 Pb S3
• SMILES: C(=[O]1)(C)O[Pb]12(N=C=S)OC(=[O]2)C.[K+].[K+].[S-]C#N.C(#N)[S-].[K+]
• Title of publication: Tripotassium bis(acetato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)plumbate(II) dithiocyanate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m755
• a: 6.1968 ± 0.0001 Å
• b: 19.2499 ± 0.0003 Å
• c: 7.6354 ± 0.0001 Å
• α: 90°
• β: 106.982 ± 0.001°
• γ: 90°
• Cell volume: 871.1 ± 0.02 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes