Information card for entry 4337431

Structure parameters

• Formula: C78 H94 N8 S2 Yb2
• Calculated formula: C78 H94 N8 S2 Yb2
• SMILES: c1(c(cccc1C)C)[N]1=C(N2c3c(N4C(=[N](c5c(cccc5C)C)[Yb]5124[S](Cc1ccccc1)[Yb]124([N](c6c(cccc6C)C)=C(N2c2ccccc2[N]4=C(N1c1c(cccc1C)C)C(C)(C)C)C(C)(C)C)[S]5Cc1ccccc1)C(C)(C)C)cccc3)C(C)(C)C
• 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: 12.0273 ± 0.0005 Å
• b: 12.6115 ± 0.0006 Å
• c: 13.6486 ± 0.0006 Å
• α: 110.18 ± 0.001°
• β: 108.3 ± 0.001°
• γ: 94.12 ± 0.001°
• Cell volume: 1806.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No