Information card for entry 2011456

Structure parameters

• Chemical name: tris(t-butyl-3-oxobutanoato)iron(III)
• Formula: C24 H39 Fe O9
• Calculated formula: C24 H39 Fe O9
• SMILES: [Fe]123([O]=C(C=C(OC(C)(C)C)O2)C)([O]=C(C=C(O1)OC(C)(C)C)C)[O]=C(C=C(OC(C)(C)C)O3)C
• Title of publication: Low-temperature tris(<i>tert</i>-butyl 3-oxobutanoato)iron(III)
• Authors of publication: Urs, Usha K.; Shalini, K.; Shivashankar, S. A.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e448 - e449
• a: 9.598 ± 0.003 Å
• b: 16.056 ± 0.004 Å
• c: 18.112 ± 0.004 Å
• α: 90°
• β: 100.88 ± 0.02°
• γ: 90°
• Cell volume: 2741 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes