Information card for entry 7022461

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: 9.1229 ± 0.0004 Å
• b: 13.8932 ± 0.0006 Å
• c: 14.3935 ± 0.0007 Å
• α: 76.435 ± 0.003°
• β: 73.076 ± 0.003°
• γ: 87.607 ± 0.003°
• Cell volume: 1695.94 ± 0.14 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No