Information card for entry 4102377

Structure parameters

• Formula: C38 H58 Fe2 Mo N18 O6
• Calculated formula: C38 H46 Fe2 Mo N18 O6
• Title of publication: Enhanced Ion Anisotropy by Nonconventional Coordination Geometry: Single-Chain Magnet Behavior for a [{FeIIL}2{NbIV(CN)8}] Helical Chain Compound Designed with Heptacoordinate FeII
• Authors of publication: Thengarai S. Venkatakrishnan; Shaon Sahoo; Nicolas Bréfuel; Carine Duhayon; Carley Paulsen; Anne-Laure Barra; S. Ramasesha; Jean-Pascal Sutter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6047 - 6056
• a: 13.4352 ± 0.0005 Å
• b: 17.59 ± 0.001 Å
• c: 21.0784 ± 0.0008 Å
• α: 90°
• β: 99.578 ± 0.003°
• γ: 90°
• Cell volume: 4911.9 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.1891
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No