Information card for entry 7714485

Structure parameters

• Formula: C46 H73 Fe P2 Si
• Calculated formula: C46 H73 Fe P2 Si
• SMILES: [Fe]12345([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]2C3[C]4(C)=[C]25C1=C[Si](c1c2cccc1)(C(C)C)C(C)C
• Title of publication: Reduction-induced hapticity increase in a silacycle-bridged biaryl-based ligand coordinated to an iron center.
• Authors of publication: Suga, Yuto; Sunada, Yusuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 862 - 865
• a: 12.3907 ± 0.0002 Å
• b: 17.3731 ± 0.0003 Å
• c: 19.8465 ± 0.0004 Å
• α: 90°
• β: 96.6727 ± 0.0017°
• γ: 90°
• Cell volume: 4243.31 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.4144 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No