Information card for entry 7007174

Structure parameters

• Formula: C15.75 H8 B Cu F12 N6
• Calculated formula: C15.75 H8 B Cu F12 N6
• 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: 9.182 ± 0.004 Å
• b: 15.203 ± 0.005 Å
• c: 8.306 ± 0.004 Å
• α: 86.821 ± 0.004°
• β: 89.007 ± 0.004°
• γ: 96.839 ± 0.005°
• Cell volume: 1149.1 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No