Information card for entry 4328782

Structure parameters

• Formula: C82 H102 Cl2 Lu5 Mn5 N9 O34
• Calculated formula: C82 H99 Cl2 Lu5 Mn5 N9 O34
• Title of publication: Structure and Properties of New Mixed-Valent [MnIII2MnIV3LnIII5O5] Complexes (LnIII= TmIII, LuIII, and YbIII)
• Authors of publication: Kirstin Hallier; Małgorzata Hołyńska; Mathieu Rouzières; Rodolphe Clérac; Stefanie Dehnen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3929 - 3931
• a: 13.797 ± 0.004 Å
• b: 22.994 ± 0.005 Å
• c: 16.92 ± 0.004 Å
• α: 90°
• β: 107.62 ± 0.03°
• γ: 90°
• Cell volume: 5116 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.3381
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.731
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No