Information card for entry 4083651

Structure parameters

• Formula: C48 H53 Al N4 P2
• Calculated formula: C48 H53 Al N4 P2
• SMILES: [Al]123([N](=P(N2c2c(cccc2C)C)(c2ccccc2)c2ccccc2)[C@@H]2[C@@H](N1P(=[N]3c1c(cccc1C)C)(c1ccccc1)c1ccccc1)CCCC2)CC.[Al]123([N](=P(N2c2c(cccc2C)C)(c2ccccc2)c2ccccc2)[C@H]2[C@H](N1P(=[N]3c1c(cccc1C)C)(c1ccccc1)c1ccccc1)CCCC2)CC
• Title of publication: DACH-Bridged (DACH =trans-1,2-Diaminocyclohexane) Bis(iminophosphonamide) Derivatives of Groups 3 and 13 and Their Use in the Enantiomorphic Polymerization of Methyl Methacrylate
• Authors of publication: Ahmed, Shabana A.; Hill, Michael S.; Hitchcock, Peter B.; Mansell, Stephen M.; St John, Oliver
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 538
• a: 11.1385 ± 0.0006 Å
• b: 22.2343 ± 0.0011 Å
• c: 17.2163 ± 0.0008 Å
• α: 90°
• β: 93.876 ± 0.003°
• γ: 90°
• Cell volume: 4254 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No