Information card for entry 7008064

Structure parameters

• Formula: C28 H44 N14 O3 S4 Zn2
• Calculated formula: C28 H40 N14 O3 S4 Zn2
• 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: 11.008 ± 0.004 Å
• b: 11.763 ± 0.004 Å
• c: 15.946 ± 0.006 Å
• α: 92.21 ± 0.03°
• β: 107.08 ± 0.03°
• γ: 90.75 ± 0.04°
• Cell volume: 1971.6 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1912
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections: 0.2329
• Weighted residual factors for significantly intense reflections: 0.172
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No