Information card for entry 7056188

Structure parameters

• Chemical name: [diaquatetraquis((2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O')bis((mu-2,6-dichlorophenyl)amino)phenyl)acetato-k2O,O':kO)dimethanoldidysprosium(III)]
• Formula: C86 H72 Cl12 Dy2 N6 O16
• Calculated formula: C86 H72 Cl12 Dy2 N6 O16
• SMILES: C1(Cc2ccccc2Nc2c(cccc2Cl)Cl)=[O][Dy]234(O1)(OC(=[O]2)Cc1ccccc1Nc1c(cccc1Cl)Cl)([O]=C(Cc1ccccc1Nc1c(cccc1Cl)Cl)[O]3[Dy]123([O]=C(Cc5ccccc5Nc5c(cccc5Cl)Cl)O1)([O]=C(Cc1ccccc1Nc1c(cccc1Cl)Cl)O2)([O]=C(Cc1ccccc1Nc1c(cccc1Cl)Cl)[O]43)([OH]C)[OH2])([OH]C)[OH2]
• Title of publication: Photoluminescent and magnetic analysis of a family of lanthanide(III) complexes based on diclofenac
• Authors of publication: Echenique-Errandonea, Estitxu; Oyarzabal, Itziar; Cepeda, Javier; San sebastian, Eider; Rodriguez-Dieguez, Antonio; Seco, José M
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5467 - 5475
• a: 9.7378 ± 0.0005 Å
• b: 33.4196 ± 0.0017 Å
• c: 13.9653 ± 0.0006 Å
• α: 90°
• β: 105.609 ± 0.001°
• γ: 90°
• Cell volume: 4377.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No