Information card for entry 4088048

Structure parameters

• Formula: C43 H73 N3 P2
• Calculated formula: C43 H73 N3 P2
• 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: 10.404 ± 0.001 Å
• b: 10.463 ± 0.001 Å
• c: 19.122 ± 0.001 Å
• α: 95.145 ± 0.001°
• β: 98.591 ± 0.001°
• γ: 100.903 ± 0.001°
• Cell volume: 2006.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No