Information card for entry 7715618

Structure parameters

• Formula: C51 H33 F18 Gd O8 P2
• Calculated formula: C51 H33 F18 Gd O8 P2
• SMILES: [Gd]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.
• Authors of publication: Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 8555 - 8562
• a: 17.0506 ± 0.0004 Å
• b: 15.4096 ± 0.0003 Å
• c: 20.578 ± 0.0005 Å
• α: 90°
• β: 93.8 ± 0.002°
• γ: 90°
• Cell volume: 5394.8 ± 0.2 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No