Information card for entry 7128682

Structure parameters

• Formula: C141 H204 O21 P3 Tb3
• Calculated formula: C141 H204 O21 P3 Tb3
• SMILES: [Tb]123(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)[O]=P(c1ccccc1)(c1ccc(P(=[O][Tb]234(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)([O]=C(C=C(O3)C(C)(C)C)C(C)(C)C)[O]=C(C=C(O2)C(C)(C)C)C(C)(C)C)(c2ccc(P(=[O][Tb]345([O]=C(C=C(O3)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)[O]=C(C=C(O5)C(C)(C)C)C(C)(C)C)(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Long-lived emission beyond 1000 nm: control of excited-state dynamics in a dinuclear Tb(III)-Nd(III) complex.
• Authors of publication: Kitagawa, Yuichi; Matsuda, Kenji; da Rosa, Pedro Paulo Ferreira; Fushimi, Koji; Hasegawa, Yasuchika
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 65
• Pages of publication: 8047 - 8050
• a: 17.3827 ± 0.0003 Å
• b: 22.9977 ± 0.0004 Å
• c: 38.292 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15307.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No