Information card for entry 4341585

Structure parameters

• Formula: C16 H38 Lu N11 O14
• Calculated formula: C16 H38 Lu N11 O14
• SMILES: C1(=O)O[Lu]234567([N](CC[O]4CC[N]3(CC(=O)O7)CC(=O)O2)(CC(=O)O5)CC(=O)O6)O1.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O
• Title of publication: Lower Denticity Leading to Higher Stability: Structural and Solution Studies of Ln(III)-OBETA Complexes.
• Authors of publication: Negri, Roberto; Baranyai, Zsolt; Tei, Lorenzo; Giovenzana, Giovanni B.; Platas-Iglesias, Carlos; Bényei, Attila C; Bodnár, Judit; Vágner, Adrienn; Botta, Mauro
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141111091549002
• a: 9.488 ± 0.0018 Å
• b: 14.232 ± 0.005 Å
• c: 20.62 ± 0.002 Å
• α: 90°
• β: 93.6 ± 0.005°
• γ: 90°
• Cell volume: 2778.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No