Information card for entry 7026861

Structure parameters

• Formula: C18 H30 B2 F8 N6 Ni O3 S3
• Calculated formula: C18 H30 B2 F8 N6 Ni O3 S3
• Title of publication: New sulfur-oxygen mixed-donor ligand N,N'-dimethyl-piperazine-3-oxo-2-thione (Me2pipto) and its Ni(II) and Fe(II) complexes.
• Authors of publication: Pilia, Luca; Artizzu, Flavia; Espa, Davide; Marchiò, Luciano; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8139 - 8142
• a: 12.541 ± 0.001 Å
• b: 12.255 ± 0.001 Å
• c: 19.659 ± 0.001 Å
• α: 90°
• β: 101.198 ± 0.003°
• γ: 90°
• Cell volume: 2963.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No