Information card for entry 7043178

Structure parameters

• Formula: C40 H52 Cu3 Mn N5 O13 S
• Calculated formula: C40 H50 Cu3 Mn N5 O13 S
• 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: 18.55 ± 0.0012 Å
• b: 12.926 ± 0.0008 Å
• c: 19.8784 ± 0.0014 Å
• α: 90°
• β: 98.17 ± 0.01°
• γ: 90°
• Cell volume: 4718 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No