Information card for entry 7704659

Structure parameters

• Formula: C43 H71 N4 P Si3
• Calculated formula: C43 H71 N4 P Si3
• SMILES: P([Si]1([N](c2c(cccc2C(C)C)C(C)C)=C(N(C)C)C=C1N(C)C)=Nc1c(C(C)C)cccc1C(C)C)([Si](C)(C)C)[Si](C)(C)C.c1ccccc1
• Title of publication: Probing the non-innocent nature of an amino-functionalised β-diketiminate ligand in silylene/iminosilane systems.
• Authors of publication: Do, Dinh Cao Huan; Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8701 - 8709
• a: 11.5822 ± 0.0005 Å
• b: 22.3841 ± 0.0009 Å
• c: 17.9474 ± 0.0009 Å
• α: 90°
• β: 102.035 ± 0.004°
• γ: 90°
• Cell volume: 4550.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1166
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No