Information card for entry 7052042

Structure parameters

• Formula: C37 H67 Al Cl Nd
• Calculated formula: C37 H67 Al Cl Nd
• SMILES: [Nd]12345678([Cl][Al](C)(C)C)([c]9([cH]4[c]3([cH]2[c]19C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]5[c]6([c]7([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions
• Authors of publication: Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 305
• a: 12.6235 ± 0.0007 Å
• b: 18.0143 ± 0.001 Å
• c: 35.025 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7964.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No