Information card for entry 7045120

Structure parameters

• Formula: C42 H54 N2 S Yb
• Calculated formula: C42 H54 N2 S Yb
• SMILES: [Yb]123456789([s]%10c(ccc%10)c%10[n]1c(ccc%10)/C=N/c1c(cccc1C(C)C)C(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.
• Authors of publication: Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1566 - 1576
• a: 16.0426 ± 0.0002 Å
• b: 18.6629 ± 0.0003 Å
• c: 12.4388 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3724.19 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No