Information card for entry 7008065

Structure parameters

• Formula: C17 H29 Mn N7 O2 S2
• Calculated formula: C17 H27 Mn N7 O2 S2
• SMILES: c1cc2[n]3[Mn]45([OH]CC)([N](=C2C)N=C(NC)S4)([N](=C(C)c3c1)N=C(NC)S5)[OH]CC
• 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: 14.981 ± 0.006 Å
• b: 10.466 ± 0.004 Å
• c: 14.281 ± 0.004 Å
• α: 90 ± 0.004°
• β: 100.32 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2202.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0011
• Residual factor for significantly intense reflections: 0.0008
• Weighted residual factors for significantly intense reflections: 0.0022
• Weighted residual factors for all reflections included in the refinement: 0.0033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No