Information card for entry 7025457

Structure parameters

• Formula: C52 H36 Gd2 N2 O18
• Calculated formula: C52 H36 Gd2 N2 O18
• SMILES: c12c(cccc1C=O)C=[O][Gd]1345(O2)([O]=Cc2c6[O]3[Gd]378(Oc9c(cccc9C=O)C=[O]3)(Oc3c(cccc3C=O)C=[O]7)([O]4c3c(cccc3C=[O]5)C=[O]8)[O]=Cc6ccc2)Oc2c(cccc2C=O)C=[O]1.N#CC.N#CC
• 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: 8.5998 ± 0.0002 Å
• b: 12.0493 ± 0.0003 Å
• c: 12.5679 ± 0.0003 Å
• α: 102.707 ± 0.001°
• β: 103.661 ± 0.001°
• γ: 101.435 ± 0.001°
• Cell volume: 1190.69 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No