Information card for entry 7714484

Structure parameters

• Formula: C46 H73 Br Fe P2 Si
• Calculated formula: C46 H73 Br Fe P2 Si
• SMILES: Br[Fe]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)C1[Si](c2c(c3c1cccc3C)cccc2)(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: 10.3693 ± 0.0007 Å
• b: 22.8549 ± 0.0015 Å
• c: 18.8063 ± 0.0013 Å
• α: 90°
• β: 94.72 ± 0.006°
• γ: 90°
• Cell volume: 4441.8 ± 0.5 ų
• Cell temperature: 128 K
• Ambient diffraction temperature: 128 K
• Number of distinct elements: 6
• 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: 0.1961
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No