Information card for entry 2204190

Structure parameters

• Chemical name: [tris(2,3,4,5-tetrachloro-6-(4,8-di-tert-butyl-2,10- dimethyl-6-oxo-12H-5,7-dioxa-6λ^5^-phosphadibenzo[a,d]cycloocten-6- yloxy)phenoxido]aluminium benzene 0.25-solvate
• Formula: C88.5 H91.5 Al Cl12 O15 P3
• Calculated formula: C88.5 H91.5 Al Cl12 O15 P3
• Title of publication: A hexacoordinated aluminium complex with a new type of seven-membered chelate ring involving a cyclic phosphate ester
• Authors of publication: Satish Kumar, N.; Vittal, Jagadese J.; Kumara Swamy, K. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1321 - m1323
• a: 22.4062 ± 0.0007 Å
• b: 22.4062 ± 0.0007 Å
• c: 33.854 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14719 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes