Information card for entry 7004697

Structure parameters

• Formula: C19 H33 Mn N7 O6 S2
• Calculated formula: C19 H33 Mn N7 O6 S2
• SMILES: C(NC1N[N]2=C(C)c3cccc4[n]3[Mn]32([S]=1)([N](=C4C)NC(NCC)=[S]3)([OH2])[OH2])C.C(=O)([O-])C.C(=O)([O-])C
• 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: 16.246 ± 0.003 Å
• b: 11.198 ± 0.002 Å
• c: 14.519 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No