Information card for entry 4342178

Structure parameters

• Formula: C27 H39 N12 O15 Yb
• Calculated formula: C27 H27 N12 O15 Yb
• SMILES: [Yb]12345678([O]=[C](N)C[N]95Cc5cccc(C[N]3(Cc3cccc(C[N]7(Cc7cccc(C9)[n]67)CC(N)=[O]1)[n]23)CC(N)=[O]8)[n]45)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Lanthanide(III) Complexation with an Amide Derived Pyridinophane.
• Authors of publication: Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1671 - 1683
• a: 10.6586 ± 0.0011 Å
• b: 11.1919 ± 0.0012 Å
• c: 15.6731 ± 0.0017 Å
• α: 90°
• β: 105.733 ± 0.002°
• γ: 90°
• Cell volume: 1799.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No