Information card for entry 7052045

Structure parameters

• Formula: C34 H58 I Tm
• Calculated formula: C34 H58 I Tm
• SMILES: [Tm]12345678(I)([c]9([c]1([c]2([c]3([cH]49)C(C)C)C(C)C)C(C)C)C(C)C)[c]1([c]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: 11.7891 ± 0.0006 Å
• b: 15.4829 ± 0.0008 Å
• c: 18.5865 ± 0.001 Å
• α: 90°
• β: 95.586 ± 0.006°
• γ: 90°
• Cell volume: 3376.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No