Information card for entry 7049972

Structure parameters

• Formula: C52 H80 Cl3 La Li2 N4 O3
• Calculated formula: C52 H80 Cl3 La Li2 N4 O3
• Title of publication: Alternative (κ¹-N:η⁶-arene vs.κ²-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?
• Authors of publication: Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8317 - 8326
• a: 19.7507 ± 0.0009 Å
• b: 13.1135 ± 0.0006 Å
• c: 20.8949 ± 0.001 Å
• α: 90°
• β: 99.274 ± 0.001°
• γ: 90°
• Cell volume: 5341.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No