Information card for entry 7008063

Structure parameters

• Formula: C13 H17 N7 Pb S2
• Calculated formula: C13 H17 N7 Pb S2
• SMILES: [Pb]1234SC(NC)=N[N]2=C(C)c2[n]3c(ccc2)C(=[N]4N=C(S1)NC)C
• Title of publication: Syntheses and X-ray characterization of metal complexes with the pentadentate thiosemicarbazone ligand bis(4-N-methylthiosemicarbazone)-2,6-diacetylpyridine. The first pentacoordinate lead(II) complex with a pentagonal geometry.
• Authors of publication: Pedrido, Rosa; Bermejo, Manuel R.; Romero, M José; Vázquez, Miguel; González-Noya, Ana M; Maneiro, Marcelino; Rodríguez, M Jesús; Fernández, M Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 572 - 579
• a: 10.267 ± 0.002 Å
• b: 22.017 ± 0.005 Å
• c: 7.4514 ± 0.0017 Å
• α: 90°
• β: 92.432 ± 0.004°
• γ: 90°
• Cell volume: 1682.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No