Information card for entry 4342174

Structure parameters

• Formula: C27 H39 Dy N12 O15
• Calculated formula: C27 H27 Dy N12 O15
• SMILES: [Dy]12345678([n]9c%10cccc9C[N]1(Cc1cccc(C[N]3(Cc3cccc(C[N]5(C%10)CC(N)=[O]8)[n]43)CC(N)=[O]7)[n]21)CC(N)=[O]6)[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: 10.7196 ± 0.0019 Å
• b: 11.246 ± 0.002 Å
• c: 15.646 ± 0.003 Å
• α: 90°
• β: 105.894 ± 0.003°
• γ: 90°
• Cell volume: 1814.1 ± 0.6 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: 0.0294
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No