Information card for entry 4073438

Structure parameters

• Formula: C11 H6 Cu F9 N4 O4 S
• Calculated formula: C11 H6 Cu F9 N4 O4 S
• Title of publication: Trifluoromethyl-Substituted Bis(pyrazolyl)methanes as Ligands for Copper and Silver: Synthesis and Spectroscopic and Structural Characterization
• Authors of publication: Pampaloni, Guido; Peloso, Riccardo; Belletti, Daniele; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4278
• a: 14.748 ± 0.005 Å
• b: 13.785 ± 0.005 Å
• c: 8.82 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.1 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No