Information card for entry 4075389

Structure parameters

• Formula: C84 H105 B2 La O7
• Calculated formula: C84 H105 B2 La O7
• SMILES: [La]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)Cc1ccc(cc1)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.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: 13.9488 ± 0.0008 Å
• b: 15.7315 ± 0.0009 Å
• c: 17.528 ± 0.001 Å
• α: 106.521 ± 0.001°
• β: 96.67 ± 0.001°
• γ: 98.939 ± 0.001°
• Cell volume: 3590.1 ± 0.4 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: 0.049
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No