Information card for entry 7107735

Structure parameters

• Formula: C148 H276.6 Cl10 Mn36 N6 Ni4 O126.3
• Calculated formula: C148 H248 Cl10 Mn36 N6 Ni4 O126.3
• Title of publication: A Mn36Ni4 'loop-of-loops-and-supertetrahedra' aggregate possessing a high ST = 26 +/- 1 spin ground state
• Authors of publication: Maria Charalambous; Eleni E. Moushi; Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5410
• a: 47.4626 ± 0.0013 Å
• b: 14.0486 ± 0.0004 Å
• c: 50.1602 ± 0.0011 Å
• α: 90°
• β: 103.689 ± 0.003°
• γ: 90°
• Cell volume: 32495.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No