Information card for entry 7128520

Structure parameters

• Formula: C36 H45 Cl2 N2 P Si
• Calculated formula: C36 H45 Cl2 N2 P Si
• SMILES: [P]1(=[N](c2c(cccc2C(C)C)C(C)C)[SiH](Cl)(Cl)N1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1
• 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: 10.5282 ± 0.0008 Å
• b: 37.197 ± 0.003 Å
• c: 17.983 ± 0.0017 Å
• α: 90°
• β: 103.127 ± 0.001°
• γ: 90°
• Cell volume: 6858.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0875
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No