Information card for entry 4088522

Structure parameters

• Formula: C40 H40 Al2 Cl8 N2 O8
• Calculated formula: C40 H40 Al2 Cl8 N2 O8
• SMILES: c12C[N]34[Al]5(Oc6c(cc(cc6C3)Cl)Cl)([O](CC4)[Al]346[N](Cc7c(c(cc(c7)Cl)Cl)O3)(Cc3c(c(cc(c3)Cl)Cl)O4)CC[O]56)Oc1c(cc(c2)Cl)Cl.O1CCCC1.O1CCCC1
• Title of publication: Dinuclear Aluminum Poly(phenolate) Complexes as Efficient Catalysts for Cyclic Carbonate Synthesis
• Authors of publication: Gao, Pengfei; Zhao, Zhiwen; Chen, Lijuan; Yuan, Dan; Yao, Yingming
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1707
• a: 9.9177 ± 0.0005 Å
• b: 10.0942 ± 0.0005 Å
• c: 11.7946 ± 0.0005 Å
• α: 81.813 ± 0.004°
• β: 83.686 ± 0.004°
• γ: 77.774 ± 0.004°
• Cell volume: 1138.34 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No