Information card for entry 4338756

Structure parameters

• Formula: C62 H78 Ce6 Mn4 N16 O44
• Calculated formula: C62 H78 Ce6 Mn4 N16 O44
• Title of publication: Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8, Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR Properties.
• Authors of publication: Lampropoulos, Christos; Thuijs, Annaliese E.; Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6805 - 6816
• a: 14.0419 ± 0.0016 Å
• b: 14.3165 ± 0.0016 Å
• c: 24.551 ± 0.003 Å
• α: 90°
• β: 104.253 ± 0.002°
• γ: 90°
• Cell volume: 4783.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1011
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No