Information card for entry 7128519

Structure parameters

• Formula: C43 H49 Fe N2 O2 P Si
• Calculated formula: C43 H49 Fe N2 O2 P Si
• SMILES: [Fe]1234([Si](=Nc5c(C(C)C)cccc5C(C)C)N(P(c5ccccc5)c5ccccc5)c5c(C(C)C)cccc5C(C)C)(C#[O])([cH]5[cH]2[cH]1[cH]4[cH]35)C#[O]
• Title of publication: Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.
• Authors of publication: Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 55
• Pages of publication: 6728 - 6731
• a: 10.6138 ± 0.0009 Å
• b: 18.8185 ± 0.0016 Å
• c: 19.6086 ± 0.0017 Å
• α: 90°
• β: 92.119 ± 0.001°
• γ: 90°
• Cell volume: 3913.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No