Information card for entry 4344565

Structure parameters

• Formula: C49 H43 O8 Tb
• Calculated formula: C49 H43 O8 Tb
• SMILES: [Tb]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)[O](C)CC[O]4C
• Title of publication: Smart Grafting of Lanthanides onto Silica via N,N-Dialkylcarbamato Complexes.
• Authors of publication: Armelao, Lidia; Belli Dell'Amico, Daniela; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 939 - 947
• a: 12.435 ± 0.0006 Å
• b: 23.778 ± 0.0013 Å
• c: 14.7265 ± 0.0008 Å
• α: 90°
• β: 104.597 ± 0.002°
• γ: 90°
• Cell volume: 4213.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No