Information card for entry 7113414

Structure parameters

• Formula: C132 H188 Cl8 Mn19 N6 O58
• Calculated formula: C132 H159 Cl8 Mn19 N6 O58
• Title of publication: All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction
• Authors of publication: Ayuk M. Ako; Yanhua Lan; Oliver Hampe; Eduard Cremades; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5847
• a: 14.1015 ± 0.001 Å
• b: 16.5323 ± 0.0012 Å
• c: 18.1689 ± 0.0015 Å
• α: 93.821 ± 0.006°
• β: 99.472 ± 0.006°
• γ: 95.429 ± 0.006°
• Cell volume: 4144.6 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.1044
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No