Information card for entry 4337429

Structure parameters

• Formula: C36 H48 N4 O Yb
• Calculated formula: C36 H48 N4 O Yb
• SMILES: [Yb]1(N(C(=Nc2c(cccc2C)C)C(C)(C)C)c2c(N1C(=Nc1c(cccc1C)C)C(C)(C)C)cccc2)[O]1CCCC1
• Title of publication: Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.
• Authors of publication: Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1537 - 1543
• a: 15.4041 ± 0.0004 Å
• b: 26.9046 ± 0.0007 Å
• c: 32.7428 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13570 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No