Information card for entry 7133320

Structure parameters

• Formula: C40 H42 Li2 O4
• Calculated formula: C40 H42 Li2 O4
• Title of publication: Tetraphenylpentalenide organolanthanide complexes.
• Authors of publication: Katzer, Nicholas J.; Kaur, Mandeep; Sen, Asmita; Nimaiyar, Rupal; Autschbach, Jochen; Arnold, Polly L.; Hintermair, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 72
• Pages of publication: 9749 - 9752
• a: 10.8476 ± 0.0004 Å
• b: 10.0967 ± 0.0004 Å
• c: 15.5113 ± 0.0005 Å
• α: 90°
• β: 94.807 ± 0.003°
• γ: 90°
• Cell volume: 1692.9 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.9 ± 0.7 K
• Number of distinct elements: 4
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No