Information card for entry 7009577

Structure parameters

• Common name: Metheidi Chloride Crust
• Formula: C70 H201 Cl Fe19 N10 O113.5
• Calculated formula: C70 H114 Cl Fe19 N10 O113.5
• 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: 13.396 ± 0.0008 Å
• b: 17.6134 ± 0.0011 Å
• c: 19.0634 ± 0.0011 Å
• α: 108.731 ± 0.001°
• β: 95.049 ± 0.001°
• γ: 97.956 ± 0.001°
• Cell volume: 4176.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No