Information card for entry 7025618

Structure parameters

• Formula: C29 H67 Al2 O8 Pr
• Calculated formula: C29 H67 Al2 O8 Pr
• SMILES: [Pr]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)([O]1CCCC1)C.[Al](C)(C)(C)C.[Al](C)(C)(C)C
• Title of publication: Cationic rare-earth-metal methyl complexes: a new preparative access exemplified for Y and Pr.
• Authors of publication: Nieland, Anja; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6753 - 6760
• a: 11.861 ± 0.0001 Å
• b: 14.733 ± 0.0002 Å
• c: 21.8646 ± 0.0002 Å
• α: 90°
• β: 92.547 ± 0.0007°
• γ: 90°
• Cell volume: 3817.02 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No