Information card for entry 7044596

Structure parameters

• Formula: C40 H36 Gd N3 O14 P2
• Calculated formula: C40 H36 Gd N3 O14 P2
• SMILES: [Gd]123([O]=P(CC(=O)c4ccccc4)(c4ccccc4)c4ccccc4)([O]=P(CC(=O)c4ccccc4)(c4ccccc4)c4ccccc4)(ON(=[O]1)=O)(ON(=[O]3)=O)(ON(=[O]2)=O)[OH2]
• Title of publication: X-ray crystallographic, luminescence and NMR studies of phenacyldiphenylphosphine oxide with the Ln(iii) ions Sm, Eu, Gd, Tb and Dy
• Authors of publication: G. Leach, Erin; Shady, Justin R.; Boyden, Adam C.; Emig, Anne-lise; Henry, Alyssa T.; Connor, Emily K.; Staples, Richard J.; Schaertel, Stephanie; Werner, Eric J.; Biros, Shannon M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.238 ± 0.0001 Å
• b: 11.6353 ± 0.0002 Å
• c: 18.4819 ± 0.0002 Å
• α: 72.0301 ± 0.0006°
• β: 75.7452 ± 0.0006°
• γ: 66.7376 ± 0.0006°
• Cell volume: 2090.38 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No