Information card for entry 4116157

Structure parameters

• Formula: C46 H65 Al2 N3 O P2 Si2
• Calculated formula: C46 H65 Al2 N3 O P2 Si2
• SMILES: P1(=[N]([Si](C)(C)C)[Al](OC2=[N]([Al](N(P(=C12)(c1ccccc1)c1ccccc1)[Si](C)(C)C)(C)C)C12CC3CC(C1)CC(C2)C3)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Carbon-Carbon Double Bond Formation Reactions of the Unique Spirocyclic Aluminum Bis(iminophosphorano) Methandiide Complex: Insertion of Heteroallenes into Aluminum-Carbon Bonds
• Authors of publication: Kasani Aparna; Robert McDonald; Ronald G. Cavell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9314 - 9315
• a: 10.6208 ± 0.0006 Å
• b: 18.2546 ± 0.0011 Å
• c: 24.4927 ± 0.0014 Å
• α: 90°
• β: 100.601 ± 0.0011°
• γ: 90°
• Cell volume: 4667.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No