Information card for entry 4075387

Structure parameters

• Formula: C52 H76 La Li O5
• Calculated formula: C52 H76 La Li O5
• SMILES: [La](Cc1ccc(cc1)C)(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry
• Authors of publication: Bambirra, Sergio; Meetsma, Auke; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3454
• a: 13.599 ± 0.001 Å
• b: 13.605 ± 0.001 Å
• c: 15.016 ± 0.001 Å
• α: 71.147 ± 0.001°
• β: 89.847 ± 0.001°
• γ: 67.519 ± 0.001°
• Cell volume: 2406 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No