Information card for entry 4088052

Structure parameters

• Formula: C35 H61 N3 P4 Yb
• Calculated formula: C35 H61 N3 P4 Yb
• SMILES: [Yb]123456([p]7[c]6([c]5([c]4([c]37C)C)C)C)(p3c(c(c(c3C)C)C)C)[N](=P(CC)(CC)CC)Cc3cccc([n]23)C[N]1=P(CC)(CC)CC
• 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: 12.147 ± 0.001 Å
• b: 17.328 ± 0.001 Å
• c: 19.089 ± 0.001 Å
• α: 90°
• β: 103.954 ± 0.001°
• γ: 90°
• Cell volume: 3899.3 ± 0.4 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: 0.0347
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No