Information card for entry 7039768

Structure parameters

• Formula: C78 H112 Al2 O6 P2
• Calculated formula: C78 H112 Al2 O6 P2
• SMILES: c12c(C(C)(C)C)cc(C(C)(C)C)cc2[P]2([Al]3(O1)(Oc1c(cc(cc21)C(C)(C)C)C(C)(C)C)[O]([Al]12(Oc4c(C(C)(C)C)cc(C(C)(C)C)cc4[P]2(C(C)(C)C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)[O]3Cc1ccccc1)Cc1ccccc1)C(C)(C)C
• Title of publication: Aluminum complexes containing biphenolate phosphine ligands: synthesis and living ring-opening polymerization catalysis.
• Authors of publication: Chang, Yu-Ning; Lee, Pei-Ying; Zou, Xue-Ru; Huang, Han-Fan; Chen, Yi-Wei; Liang, Lan-Chang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15951 - 15962
• a: 17.822 ± 0.0004 Å
• b: 17.822 ± 0.0004 Å
• c: 21.4837 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5909.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No