Information card for entry 4088053

Structure parameters

• Formula: C66 H69 N3 P4 Yb
• Calculated formula: C66 H69 N3 P4 Yb
• SMILES: [Yb]123456789([p]%10[c]2([c]3([c]4([c]5%10C)C)C)C)([p]2[c]6([c]7([c]8([c]92C)C)C)C)[N](=P(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2[n]1c(ccc2)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
• 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: 12.915 ± 0.001 Å
• b: 15.754 ± 0.001 Å
• c: 16.175 ± 0.001 Å
• α: 102.862 ± 0.001°
• β: 110.668 ± 0.001°
• γ: 100.684 ± 0.001°
• Cell volume: 2873.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0463
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No