Information card for entry 7054848

Structure parameters

• Formula: C36 H12 Cu6 F36 N12
• Calculated formula: C36 H12 Cu6 F36 N12
• 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: 9.56 ± 0.004 Å
• b: 12.62 ± 0.005 Å
• c: 21.55 ± 0.008 Å
• α: 88.897 ± 0.007°
• β: 84.185 ± 0.007°
• γ: 87.425 ± 0.007°
• Cell volume: 2583.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.03 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: 0.05
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No