Information card for entry 7054850

Structure parameters

• Formula: C25 H11 Cu3 F18 N6
• Calculated formula: C25 H11 Cu3 F18 N6
• Title of publication: Isolable arene sandwiched copper(i) pyrazolates
• Authors of publication: Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5092
• a: 11.7936 ± 0.0011 Å
• b: 12.4534 ± 0.0011 Å
• c: 12.7263 ± 0.0011 Å
• α: 109.803 ± 0.002°
• β: 117.447 ± 0.002°
• γ: 95.807 ± 0.002°
• Cell volume: 1484.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No