Information card for entry 4342179

Structure parameters

• Formula: C30 H37 F9 La N9 O14 S3
• Calculated formula: C30 H27 F9 La N9 O14 S3
• SMILES: [La]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)OS(=O)(=O)C(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.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: 13.7102 ± 0.0011 Å
• b: 22.5431 ± 0.0018 Å
• c: 15.437 ± 0.0013 Å
• α: 90°
• β: 109.505 ± 0.001°
• γ: 90°
• Cell volume: 4497.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1074
• 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