Information card for entry 4112586

Structure parameters

• Formula: C52 H86 La N3 O4
• Calculated formula: C48 H78 La N3 O3
• SMILES: [La](Nc1c(C(C)C)cccc1C(C)C)(Nc1c(C(C)C)cccc1C(C)C)(Nc1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2
• Authors of publication: Garth R. Giesbrecht; John C. Gordon; David L. Clark; P. Jeffrey Hay; Brian L. Scott; C. Drew Tait
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6387 - 6401
• a: 13.137 ± 0.004 Å
• b: 16.922 ± 0.004 Å
• c: 13.442 ± 0.003 Å
• α: 90°
• β: 119.253 ± 0.003°
• γ: 90°
• Cell volume: 2607.1 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No