Information card for entry 7004695

Structure parameters

• Formula: C17 H27 N7 O Pb S3
• Calculated formula: C17 H27 N7 O Pb S3
• SMILES: c1c2C(=[N]3N=C(S[Pb]453[N](=C(C)c(cc1)[n]24)N=C(NCC)S5)NCC)C.CS(C)=O
• Title of publication: Pentadentate thiosemicarbazones as versatile chelating systems. A comparative structural study of their metallic complexes
• Authors of publication: Pedrido, Rosa; González-Noya, Ana M.; Romero, Maria J.; Martínez-Calvo, Miguel; Vázquez López, Miguel; Gómez-Fórneas, Esther; Zaragoza, Guillermo; Bermejo, Manuel R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6776 - 6787
• a: 8.7498 ± 0.0003 Å
• b: 10.0206 ± 0.0003 Å
• c: 13.6415 ± 0.0004 Å
• α: 104.716 ± 0.002°
• β: 91.567 ± 0.002°
• γ: 98.443 ± 0.002°
• Cell volume: 1141.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No