Information card for entry 7009580

Structure parameters

• Common name: Metheidi dimer
• Formula: C14 H32 Fe2 N2 O16
• Calculated formula: C14 H32 Fe2 N2 O16
• SMILES: C1C(=O)O[Fe]234([N]1([C@@H](C[O]3[Fe]135([N]([C@H](C[O]41)C)(CC(=O)O3)CC(=O)O5)[OH2])C)CC(=O)O2)[OH2].O.O.O.O
• Title of publication: Towards nanostructured arrays of single molecule magnets: new Fe19 oxyhydroxide clusters displaying high ground state spins and hysteresis †
• Authors of publication: Goodwin, Jeremy C.; Sessoli, Roberta; Gatteschi, Dante; Wernsdorfer, Wolfgang; Powell, Annie K.; Heath, Sarah L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1835
• a: 6.9549 ± 0.0008 Å
• b: 9.3819 ± 0.0011 Å
• c: 9.913 ± 0.0012 Å
• α: 67.995 ± 0.002°
• β: 88.68 ± 0.002°
• γ: 74.027 ± 0.002°
• Cell volume: 574.22 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No