Information card for entry 1512806

Structure parameters

• Formula: C21 H26 Co N9 O S6
• Calculated formula: C21 H26 Co N9 O S6
• SMILES: [Co]123(SC(=N[N]1=Cc1sccc1)NC)(SC(=N[N]2=Cc1sccc1)NC)SC(=N[N]3=Cc1sccc1)NC.O
• Title of publication: Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes
• Authors of publication: Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 605 - 615
• a: 10.7381 ± 0.0012 Å
• b: 29.112 ± 0.003 Å
• c: 9.9919 ± 0.0012 Å
• α: 90°
• β: 114.963 ± 0.002°
• γ: 90°
• Cell volume: 2831.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No