Information card for entry 7015549

Structure parameters

• Formula: C35 H34 Al N2 P
• Calculated formula: C35 H34 Al N2 P
• SMILES: [Al]1(N(C(=CP(=[N]1c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C)C
• Title of publication: Dimethylaluminium iminophosphoranylenamides and iminophosphoranylanilides: synthesis, characterisation, and their controlled ring-opening polymerisation of ε-caprolactone.
• Authors of publication: Ma, Wen-An; Wang, Li; Wang, Zhong-Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4669 - 4677
• a: 12.3833 ± 0.0013 Å
• b: 13.9861 ± 0.0014 Å
• c: 18.4732 ± 0.0018 Å
• α: 90°
• β: 90.136 ± 0.001°
• γ: 90°
• Cell volume: 3199.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No