Information card for entry 7701038

Structure parameters

• Formula: C18 H12 Cu2 F12 N4
• Calculated formula: C18 H12 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: 10.4189 ± 0.0005 Å
• b: 10.4808 ± 0.0005 Å
• c: 12.286 ± 0.0006 Å
• α: 92.068 ± 0.002°
• β: 110.195 ± 0.002°
• γ: 115.74 ± 0.002°
• Cell volume: 1106.4 ± 0.1 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: 0.0536
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No