Information card for entry 1572267

Structure parameters

• Formula: C78 H115 N2 O1.5 Yb
• Calculated formula: C78 H115 N2 O1.5 Yb
• Title of publication: δ-Bonding modulates the electronic structure of formally divalent nd¹ rare earth arene complexes.
• Authors of publication: MacKenzie, Ross E.; Hajdu, Tomáš; Seed, John A.; Whitehead, George F. S.; Adams, Ralph W.; Chilton, Nicholas F.; Collison, David; McInnes, Eric J. L.; Goodwin, Conrad A. P.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15160 - 15169
• a: 22.4353 ± 0.0002 Å
• b: 16.0693 ± 0.0001 Å
• c: 20.0264 ± 0.0001 Å
• α: 90°
• β: 106.494 ± 0.001°
• γ: 90°
• Cell volume: 6922.81 ± 0.09 ų
• Cell temperature: 99 ± 6 K
• Ambient diffraction temperature: 99 ± 6 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No