Information card for entry 7025456

Structure parameters

• Formula: C52 H36 Ho2 N2 O18
• Calculated formula: C52 H36 Ho2 N2 O18
• SMILES: C(=O)c1c2c(ccc1)C=[O][Ho]1345(O2)([O]=Cc2cccc6c2[O]3[Ho]237(Oc8c(C=O)cccc8C=[O]2)([O]=Cc2cccc(C=[O]1)c2[O]43)([O]=C6)[O]=Cc1cccc(c1O7)C=O)Oc1c(C=[O]5)cccc1C=O.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: 8.6191 ± 0.0018 Å
• b: 12.036 ± 0.003 Å
• c: 12.555 ± 0.003 Å
• α: 102.452 ± 0.003°
• β: 103.968 ± 0.003°
• γ: 101.487 ± 0.003°
• Cell volume: 1190.1 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No