Information card for entry 1505765

Structure parameters

• Formula: C15 H7 Er F18 O8
• Calculated formula: C15 H7 Er F18 O8
• SMILES: C1(=CC(C(F)(F)F)=[O][Er]23(O1)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O3)C(F)(F)F)([OH2])[OH2])C(F)(F)F
• Title of publication: Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds.
• Authors of publication: Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 48
• Pages of publication: 24476 - 24479
• a: 9.9059 ± 0.0001 Å
• b: 11.5257 ± 0.0002 Å
• c: 12.3039 ± 0.0002 Å
• α: 67.909 ± 0.001°
• β: 73.791 ± 0.001°
• γ: 76.086 ± 0.001°
• Cell volume: 1235.32 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No