Information card for entry 7037741

Structure parameters

• Formula: C62 H86 Al2 N4 O P2 Si2
• Calculated formula: C62 H86 Al2 N4 O P2 Si2
• SMILES: [Si](P1[AlH](P([Si](c2ccccc2)(C(C)(C)C)c2ccccc2)[AlH]1=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(c2c(N1C(C)C)cccc2)C(C)C)(c1ccccc1)(C(C)(C)C)c1ccccc1.O(CC)CC
• Title of publication: Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.
• Authors of publication: Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6275 - 6281
• a: 15.8684 ± 0.0007 Å
• b: 20.7005 ± 0.0009 Å
• c: 19.0724 ± 0.0009 Å
• α: 90°
• β: 92.019 ± 0.002°
• γ: 90°
• Cell volume: 6261.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0602
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No