Information card for entry 4332681

Structure parameters

• Formula: C46 H80 Mn6 N2 O22
• Calculated formula: C46 H80 Mn6 N2 O22
• Title of publication: A Family of [Mn6] Complexes Featuring Tripodal Ligands
• Authors of publication: Milios, Constantinos J.; Manoli, Maria; Rajaraman, Gopalan; Mishra, Abhudaya; Budd, Laura E.; White, Fraser; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6782 - 6793
• a: 11.8646 ± 0.0004 Å
• b: 16.8058 ± 0.0006 Å
• c: 14.7813 ± 0.0006 Å
• α: 90°
• β: 102.957 ± 0.003°
• γ: 90°
• Cell volume: 2872.26 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No