Information card for entry 4338757

Structure parameters

• Formula: C88.5 H170.5 Ce Mn8 N5.5 O37.5
• Calculated formula: C88.5 H170.5 Ce Mn8 N5.5 O37.5
• 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: 17.2684 ± 0.0011 Å
• b: 17.5059 ± 0.0011 Å
• c: 23.2553 ± 0.0014 Å
• α: 79.51 ± 0.001°
• β: 76.19 ± 0.001°
• γ: 62.78 ± 0.001°
• Cell volume: 6049.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No