Information card for entry 7701042

Structure parameters

• Formula: C22 H20 Cu2 F12 N4
• Calculated formula: C22 H20 Cu2 F12 N4
• Title of publication: Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations.
• Authors of publication: Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 42
• Pages of publication: 15782 - 15794
• a: 8.4602 ± 0.0003 Å
• b: 9.266 ± 0.0004 Å
• c: 17.3777 ± 0.0007 Å
• α: 97.758 ± 0.001°
• β: 90.353 ± 0.001°
• γ: 107.117 ± 0.001°
• Cell volume: 1288.5 ± 0.09 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: 0.0337
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No