Information card for entry 7049448

Structure parameters

• Formula: C12 H2 Cu2 F12 N4 O2
• Calculated formula: C12 H2 Cu2 F12 N4 O2
• Title of publication: Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.
• Authors of publication: Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6358 - 6371
• a: 11.4684 ± 0.0014 Å
• b: 11.5 ± 0.0014 Å
• c: 12.1867 ± 0.0015 Å
• α: 68.669 ± 0.003°
• β: 87.811 ± 0.004°
• γ: 62.226 ± 0.003°
• Cell volume: 1307.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No