Information card for entry 7714863

Structure parameters

• Formula: C28 H74 Fe O Si8
• Calculated formula: C28 H74 Fe O Si8
• SMILES: [Fe]([Si]([Si](C)(C)C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C)([Si]([Si](C)(C)C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: Planar three-coordinate iron(II) complexes supported by sterically demanding -Si(SiMe₃)₂(SiMe₂^<i>t</i>Bu) ligands.
• Authors of publication: Ishii, Reon; Sunada, Yusuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1421 - 1424
• a: 10.5191 ± 0.0002 Å
• b: 22.8961 ± 0.0004 Å
• c: 18.6336 ± 0.0003 Å
• α: 90°
• β: 99.1085 ± 0.0019°
• γ: 90°
• Cell volume: 4431.24 ± 0.14 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No