Information card for entry 7045119

Structure parameters

• Formula: C49 H62 N2 O Yb
• Calculated formula: C49 H62 N2 O Yb
• SMILES: [Yb]123456789([o]%10cccc%10c%10[n]1c(ccc%10)/C=N/c1c(cccc1C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.c1(ccccc1)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: 12.0399 ± 0.0007 Å
• b: 14.7771 ± 0.0008 Å
• c: 24.3929 ± 0.0014 Å
• α: 90°
• β: 98.609 ± 0.001°
• γ: 90°
• Cell volume: 4291 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0531
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No