Information card for entry 7025616

Structure parameters

• Formula: C32 H76 Al3 O10 Pr
• Calculated formula: C32 H76 Al3 O10 Pr
• SMILES: [Pr]12345678([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1CC[O]5CC[O]6CC[O]7CC[O]8CC1.[Al](C)(C)(C)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: 22.697 ± 0.004 Å
• b: 11.4073 ± 0.0007 Å
• c: 16.757 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4338.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No