Information card for entry 7049450

Structure parameters

• Formula: C14 H3 Cl2 Cu2 F12 N5 O2
• Calculated formula: C14 H3 Cl2 Cu2 F12 N5 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: 12.1154 ± 0.0017 Å
• b: 9.6123 ± 0.0013 Å
• c: 19.084 ± 0.003 Å
• α: 90°
• β: 100.863 ± 0.003°
• γ: 90°
• Cell volume: 2182.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No