Information card for entry 7129016

Structure parameters

• Formula: C12 H26 Mn N12 Na2 O13
• Calculated formula: C12 H26 Mn N12 Na2 O13
• 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: 9.9513 ± 0.0007 Å
• b: 11.2457 ± 0.0008 Å
• c: 11.7458 ± 0.0009 Å
• α: 106.127 ± 0.007°
• β: 93.29 ± 0.006°
• γ: 106.007 ± 0.006°
• Cell volume: 1200.93 ± 0.17 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No