Information card for entry 7022463

Structure parameters

• Formula: C33 H18 Cu2 F12 N12
• Calculated formula: C33 H18 Cu2 F12 N12
• Title of publication: Temperature-dependent zero-field splitting in a copper(II) dimer studied by EPR.
• Authors of publication: Fedin, Matvey V.; Zhilina, Ekaterina F.; Chizhov, Dmitrii L.; Apolonskaya, Inna A.; Aleksandrov, Grigory G.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Charushin, Valery N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4513 - 4521
• a: 9.1395 ± 0.0006 Å
• b: 13.9368 ± 0.0009 Å
• c: 14.3849 ± 0.0009 Å
• α: 76.298 ± 0.001°
• β: 73.583 ± 0.001°
• γ: 87.436 ± 0.001°
• Cell volume: 1707.08 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0805
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No