Information card for entry 7129013

Structure parameters

• Common name: 6CeNi
• Chemical name: CeNi3L(OAc)3
• Formula: C36 H33 Ce N6 Ni3 O12
• Calculated formula: C36 H33 Ce N6 Ni3 O12
• Title of publication: Aerobic oxygenation of α-methylene ketones under visible-light catalysed by a CeNi₃ complex with a macrocyclic tris(salen)-ligand.
• Authors of publication: Nagae, Haruki; Sakamoto, Kazutaka; Fujiwara, Sakiko; Schindler, Tobias; Kon, Yoshihiro; Sato, Kazuhiko; Okuda, Jun; Mashima, Kazushi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11169 - 11172
• a: 8.3694 ± 0.0005 Å
• b: 17.4057 ± 0.0011 Å
• c: 18.0006 ± 0.0013 Å
• α: 62.578 ± 0.003°
• β: 75.394 ± 0.004°
• γ: 77.11 ± 0.004°
• Cell volume: 2234.9 ± 0.3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No