Information card for entry 7052046

Structure parameters

• Formula: C21 H39 Cl2 O2 Tm
• Calculated formula: C21 H39 Cl2 O2 Tm
• SMILES: [Tm]12345(Cl)(Cl)([O](C)CC[O]1C)[c]1([c]2([c]3([c]4([cH]51)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: 8.8947 ± 0.0006 Å
• b: 13.8338 ± 0.0007 Å
• c: 10.3037 ± 0.0008 Å
• α: 90°
• β: 105.603 ± 0.008°
• γ: 90°
• Cell volume: 1221.12 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No