Information card for entry 7050325

Structure parameters

• Formula: C81 H112 Cl2 Mn12 O56
• Calculated formula: C81 H112 Cl2 Mn12 O56
• Title of publication: Synthesis and Characterisation of Magnetic Organic Inorganic Nanocomposites Based on [Mn12O12(CH2C(CH3)COO)16(H2O)4] Building Block.
• Authors of publication: Joulia Larionova; Rodolphe Clerac; Bruno Donnadieu; Christian Guerin; Bernard Henner; Lollita Lecren; A.Meyer; Alexander V. Pokrovskii; Stephanie Willemin
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 30.445 ± 0.006 Å
• b: 14.098 ± 0.003 Å
• c: 29.3 ± 0.006 Å
• α: 90°
• β: 116.28 ± 0.03°
• γ: 90°
• Cell volume: 11276 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No