Information card for entry 4076800

Structure parameters

• Formula: C46 H46 La O
• Calculated formula: C46 H46 La O
• SMILES: [La]12345678([cH]9[cH]1[cH]2[c]4(C(C1c2c(c4ccccc14)cccc2)(C)C)[cH]93)([O]1CCCC1)[cH]1[cH]6[cH]7[c]8(C(C2c3c(c4ccccc24)cccc3)(C)C)[cH]51
• Title of publication: Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System
• Authors of publication: Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3238
• a: 9.7148 ± 0.0011 Å
• b: 20.524 ± 0.002 Å
• c: 17.1837 ± 0.0019 Å
• α: 90°
• β: 90.014 ± 0.004°
• γ: 90°
• Cell volume: 3426.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1373
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No