Information card for entry 7025454

Structure parameters

• Formula: C52 H36 Dy2 N2 O18
• Calculated formula: C52 H36 Dy2 N2 O18
• SMILES: C1=[O][Dy]2345(Oc6c1cccc6C=O)([O]=Cc1cccc(c1O2)C=O)[O]=Cc1cccc2c1[O]3[Dy]136([O]=Cc7cccc(c7O1)C=O)([O]=Cc1cccc(c1O3)C=O)([O]=Cc1cccc(c1[O]46)C=[O]5)[O]=C2.C(#N)C.C(#N)C
• Title of publication: Fluorescent dialdehyde ligand for the encapsulation of dinuclear luminescent lanthanide complexes.
• Authors of publication: Lin, Po-Heng; Leclère, Mathieu; Long, Jérôme; Burchell, Tara J.; Korobkov, Ilia; Clérac, Rodolphe; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5698 - 5704
• a: 8.6231 ± 0.001 Å
• b: 12.0349 ± 0.0013 Å
• c: 12.5501 ± 0.0014 Å
• α: 102.54 ± 0.001°
• β: 103.838 ± 0.001°
• γ: 101.584 ± 0.001°
• Cell volume: 1189.8 ± 0.2 ų
• Cell temperature: 202 ± 2 K
• Ambient diffraction temperature: 202 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No