Information card for entry 7125483

Structure parameters

• Formula: C12 H20 B2 F8 N4 Ni S4
• Calculated formula: C12 H20 B2 F8 N4 Ni S4
• Title of publication: [Ni(R2pipdt)2](BF4)2 (R2pipdt = 1,4-disubstituted-piperazine-3,2-dithione) as useful precursors of mixed-ligand dithiolenes of interest for non-linear optics.
• Authors of publication: Bigoli, F.; Chen, C. T.; Wu, W. C.; Deplano, P.; Mercuri, M. L.; Pellinghelli, M. A.; Pilia, L.; Pintus, G.; Serpe, A.; Trogu, E. F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 2246 - 2247
• a: 16.646 ± 0.006 Å
• b: 18.189 ± 0.006 Å
• c: 14.887 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4507 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No