Information card for entry 7007173

Structure parameters

• Formula: C18 H22 B Cu F12 N4 Si
• Calculated formula: C18 H22 B Cu F12 N4 Si
• Title of publication: Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I).
• Authors of publication: Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3576 - 3583
• a: 15.496 ± 0.002 Å
• b: 8.598 ± 0.001 Å
• c: 20.795 ± 0.002 Å
• α: 90°
• β: 106.52 ± 0.01°
• γ: 90°
• Cell volume: 2656.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1055
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No