Information card for entry 4088051

Structure parameters

• Formula: C26 H34 N2 P2 Yb
• Calculated formula: C26 H34 N2 P2 Yb
• SMILES: [Yb]12345678([p]9[c]1(C)[c]2(C)[c]3([c]49C)C)([p]1[c]8([c]7([c]6([c]51C)C)C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants
• Authors of publication: Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 5470
• a: 15.281 ± 0.001 Å
• b: 10.192 ± 0.001 Å
• c: 17.485 ± 0.001 Å
• α: 90°
• β: 109.475 ± 0.001°
• γ: 90°
• Cell volume: 2567.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No