Information card for entry 7043175

Structure parameters

• Chemical name: Tetrakis-[2-((2-oxidoethylimino)methyl)phenolate]-tris(methanol)-tricopper(II) manganese(III) Triiodide
• Formula: C39 H48 Cu3 I3 Mn N4 O11
• Calculated formula: C39 H48 Cu3 I3 Mn N4 O11
• Title of publication: Details make the difference: a family of tetranuclear CuIIMnIII complexes with cube-like and double open cube-like cores
• Authors of publication: Stetsiuk, Oleh; Nesterova, Oksana V.; Kokozay, Vladimir N.; Domasevitch, Kostiantyn V.; Omelchenko, Iryna V.; Shishkin, Oleg V.; Vranovičová, Beata; Boča, Roman; Pombeiro, Armando J. L.; Petrusenko, Svitlana R.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.3737 ± 0.0011 Å
• b: 15.6103 ± 0.0008 Å
• c: 23.0857 ± 0.0018 Å
• α: 90°
• β: 92.535 ± 0.009°
• γ: 90°
• Cell volume: 4814.8 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No