Information card for entry 7129015

Structure parameters

• Formula: C60 H79 As2 Mn N12 O19.5
• Calculated formula: C60 H79 As2 Mn N12 O19.5
• Title of publication: Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes.
• Authors of publication: Shylin, Sergii I.; Pogrebetsky, James L.; Husak, Alina O.; Bykov, Dmytro; Mokhir, Andriy; Hampel, Frank; Shova, Sergiu; Ozarowski, Andrew; Gumienna-Kontecka, Elzbieta; Fritsky, Igor O.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 84
• Pages of publication: 11060 - 11063
• a: 21.0876 ± 0.0003 Å
• b: 21.1132 ± 0.0002 Å
• c: 29.7036 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13224.8 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No