Information card for entry 2236680

Structure parameters

• Chemical name: Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III)
• Formula: C28 H72 Fe N O4 Si4
• Calculated formula: C28 H72 Fe N O4 Si4
• SMILES: [Fe](O[Si](C)(C)C)(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III)
• Authors of publication: Hay, Michael; Staples, Richard; Lee, Andre
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1186
• a: 10.4952 ± 0.0005 Å
• b: 10.5143 ± 0.0005 Å
• c: 19.3506 ± 0.0009 Å
• α: 82.722 ± 0.001°
• β: 82.834 ± 0.001°
• γ: 81.658 ± 0.001°
• Cell volume: 2083.37 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes