Information card for entry 7023900

Structure parameters

• Formula: C50 H58 Br4 Cu2 Fe2 N6 O18
• Calculated formula: C50 H58 Br4 Cu2 Fe2 N6 O18
• Title of publication: Magnetic, high-field EPR studies and catalytic activity of Schiff base tetranuclear Cu(II)2Fe(III)2 complexes obtained by direct synthesis.
• Authors of publication: Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Bon, Volodymyr V.; Omelchenko, Irina V.; Shishkin, Oleg V.; Titiš, Ján; Boča, Roman; Pombeiro, Armando J. L.; Ozarowski, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16909 - 16919
• a: 12.7243 ± 0.0005 Å
• b: 12.8239 ± 0.0006 Å
• c: 13.7739 ± 0.0006 Å
• α: 105.861 ± 0.002°
• β: 92.703 ± 0.002°
• γ: 103.364 ± 0.002°
• Cell volume: 2088.78 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No