Information card for entry 7017009

Structure parameters

• Formula: C19 H19 Cu F12 N4 O5
• Calculated formula: C19 H19 Cu F12 N4 O5
• Title of publication: Determination of the relevant magnetic interactions in low-dimensional molecular materials: the fundamental role of single crystal high frequency EPR.
• Authors of publication: Allão, R A; Jordão, A K; Resende, J. A. L. C.; Cunha, A. C.; Ferreira, V. F.; Novak, M. A.; Sangregorio, C.; Sorace, L.; Vaz, M. G. F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10843 - 10850
• a: 8.6543 ± 0.0002 Å
• b: 12.1291 ± 0.0003 Å
• c: 12.755 ± 0.003 Å
• α: 77.66 ± 0.002°
• β: 85.33 ± 0.002°
• γ: 74.219 ± 0.002°
• Cell volume: 1258.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No