Information card for entry 7015847

Structure parameters

• Formula: C67 H87 Mn6 N6 O27.5 Tb2
• Calculated formula: C67 H87 Mn6 N6 O27.5 Tb2
• Title of publication: Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.
• Authors of publication: Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4797 - 4799
• a: 12.7152 ± 0.0003 Å
• b: 25.61 ± 0.0009 Å
• c: 23.8804 ± 0.0007 Å
• α: 90°
• β: 92.941 ± 0.003°
• γ: 90°
• Cell volume: 7766.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0007
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No