Information card for entry 7714039

Structure parameters

• Formula: C28 H66 Fe N4 Si8
• Calculated formula: C28 H66 Fe N4 Si8
• SMILES: [Fe]1([Si]2([Si]([Si]([Si]1([Si]([Si]2(C)C)(C)C)[Si](C)(C)C)(C)C)(C)C)[Si](C)(C)C)(=C1N(C)C(C)=C(N1C)C)=C1N(C)C(C)=C(N1C)C
• Title of publication: Four- and Three-coordinate Planar Iron(II) Complexes Supported by Bulky Organosilyl Ligands
• Authors of publication: Ishii, Reon; Nakagawa, Minesato; Wada, Yoshimasa; Sunada, Yusuke
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.1857 ± 0.0002 Å
• b: 22.6499 ± 0.0006 Å
• c: 18.6628 ± 0.0005 Å
• α: 90°
• β: 93.809 ± 0.002°
• γ: 90°
• Cell volume: 4296.09 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0499
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No