Information card for entry 4115416

Structure parameters

• Common name: Fe5(O)(OEt)13
• Formula: C26 H65 Fe5 O14
• Calculated formula: C26 H65 Fe5 O14
• SMILES: [Fe]123([O]456[Fe]7([O]1CC)(OCC)[O]([Fe]14(OCC)[O]([Fe]5(OCC)([O]2CC)[O]([Fe]6([O]3CC)([O]7CC)([O]1CC)OCC)CC)CC)CC)OCC
• Title of publication: Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides
• Authors of publication: Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 339 - 340
• a: 11.7472 ± 0.001 Å
• b: 12.1672 ± 0.0011 Å
• c: 15.8347 ± 0.0014 Å
• α: 99.2118 ± 0.0015°
• β: 101.262 ± 0.0015°
• γ: 109.507 ± 0.0014°
• Cell volume: 2029.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No