Information card for entry 7043179

Structure parameters

• Formula: C36 H44 B Cu3 F4 Mn N4 O12
• Calculated formula: C36 H44 B Cu3 F4 Mn N4 O12
• 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: 16.8093 ± 0.0009 Å
• b: 13.6009 ± 0.0007 Å
• c: 19.1235 ± 0.001 Å
• α: 90°
• β: 93.479 ± 0.005°
• γ: 90°
• Cell volume: 4364 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• 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: 0.1983
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No