Information card for entry 4116158

Structure parameters

• Formula: C55 H80 Al2 N4 P2 Si2
• Calculated formula: C55 H80 Al2 N4 P2 Si2
• SMILES: P1(=[N]([Si](C)(C)C)[Al](N(C2C1=P(N([Si](C)(C)C)[Al]([N]=2C1CCCCC1)(C)C)(c1ccccc1)c1ccccc1)C1CCCCC1)(C)C)(c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 12.4477 ± 0.0009 Å
• b: 13.2048 ± 0.0009 Å
• c: 18.2357 ± 0.0013 Å
• α: 91.0447 ± 0.0013°
• β: 101.967 ± 0.0013°
• γ: 109.623 ± 0.0012°
• Cell volume: 2749.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No