Information card for entry 4075388

Structure parameters

• Formula: C54 H66 B La O4
• Calculated formula: C54 H66 B La O4
• SMILES: [La]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 18.3872 ± 0.0009 Å
• b: 18.3346 ± 0.0009 Å
• c: 27.242 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9183.9 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0604
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No