Information card for entry 7128521

Structure parameters

• Formula: C42 H62 N3 P Si3
• Calculated formula: C42 H62 N3 P Si3
• SMILES: P(N([Si](=Nc1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)c1c(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: 19.752 ± 0.0008 Å
• b: 18.912 ± 0.0008 Å
• c: 22.5192 ± 0.0009 Å
• α: 90°
• β: 92.001 ± 0.001°
• γ: 90°
• Cell volume: 8406.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1018
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No