Information card for entry 4346777

Structure parameters

• Formula: C185 H230 Ca2 Mn6 N10 O39
• Calculated formula: C185 H199.98 Ca2 Mn6 N10 O39
• Title of publication: Magnetic Behavior of Heterometallic Wheels Having a [Mn(IV)6M2O9](10+) Core with M = Ca(2+) and Sr(2+).
• Authors of publication: Escriche-Tur, Luis; Jover, Jesús; Font-Bardia, Mercè; Aullón, Gabriel; Corbella, Montserrat
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11596 - 11605
• a: 19.5284 ± 0.0013 Å
• b: 19.5284 ± 0.0013 Å
• c: 28.677 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9471 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No