Information card for entry 4133233

Structure parameters

• Formula: C32 H39 N7 Yb
• Calculated formula: C32 H39 N7 Yb
• SMILES: [Yb]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.c1ccccc[cH-]cc1.[cH-]1cccccccc1
• Title of publication: Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.
• Authors of publication: Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 43
• Pages of publication: 14433 - 14439
• a: 21.525 ± 0.003 Å
• b: 22.637 ± 0.003 Å
• c: 14.4941 ± 0.0019 Å
• α: 90°
• β: 106.479 ± 0.004°
• γ: 90°
• Cell volume: 6772.3 ± 1.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No