Information card for entry 7715616

Structure parameters

• Formula: C51 H69 F18 Gd O8 P2
• Calculated formula: C51 H69 F18 Gd O8 P2
• SMILES: [Gd]123([O]=P(C4CCCCC4)(C4CCCCC4)C4CCCCC4)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)(OC(=CC(=[O]2)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: 17.8798 ± 0.0006 Å
• b: 18.7861 ± 0.0006 Å
• c: 17.3285 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5820.5 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No