Information card for entry 7714864

Structure parameters

• Formula: C31 H78 Fe N2 Si8
• Calculated formula: C31 H78 Fe N2 Si8
• SMILES: [Fe]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C(C)(C)C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C(C)(C)C)=C1N(C)C(C)=C(N1C)C
• 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: 10.4392 ± 0.0016 Å
• b: 11.7999 ± 0.0018 Å
• c: 20.072 ± 0.003 Å
• α: 100.822 ± 0.007°
• β: 94.29 ± 0.007°
• γ: 101.043 ± 0.007°
• Cell volume: 2367.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.4144 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No