Information card for entry 7004694

Structure parameters

• Formula: C32 H48 Cd2 N14 O S5
• Calculated formula: C32 H48 Cd2 N14 O S5
• 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: 12.573 ± 0.002 Å
• b: 27.187 ± 0.004 Å
• c: 12.4839 ± 0.0018 Å
• α: 90°
• β: 90.736 ± 0.003°
• γ: 90°
• Cell volume: 4266.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1157
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No