Information card for entry 4336988

Structure parameters

• Formula: C12 H15 Cu0.5 F12 N2 O2
• Calculated formula: C12 H15 Cu0.5 F12 N2 O2
• Title of publication: Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes
• Authors of publication: Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14050 - 14063
• a: 19.7604 ± 0.0012 Å
• b: 8.4356 ± 0.0005 Å
• c: 21.171 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3529 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2774
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No