Information card for entry 1572273

Structure parameters

• Formula: C76 H110 N2 O Tm
• Calculated formula: C76 H110 N2 O Tm
• 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: 13.1863 ± 0.0002 Å
• b: 24.2869 ± 0.0003 Å
• c: 21.3806 ± 0.0003 Å
• α: 90°
• β: 95.8291 ± 0.0015°
• γ: 90°
• Cell volume: 6811.82 ± 0.16 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No