Information card for entry 7021771

Structure parameters

• Formula: C53 H46 Dy F18 O12.5 P2
• Calculated formula: C53 H46 Dy F18 O12.5 P2
• SMILES: [Dy]123([O]=P(OCC)(OCC)Cc4c5ccccc5cc5ccccc45)([O]=P(OCC)(OCC)Cc4c5ccccc5cc5ccccc45)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F.O
• Title of publication: Mononuclear lanthanide complexes incorporating an anthracene group: structural modification, slow magnetic relaxation and multicomponent fluorescence emissions in Dy compounds.
• Authors of publication: Cao, Deng-Ke; Gu, Yan-Wei; Feng, Jia-Qi; Cai, Zhong-Sheng; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11436 - 11444
• a: 12.8118 ± 0.0006 Å
• b: 39.565 ± 0.002 Å
• c: 26.3821 ± 0.0011 Å
• α: 90°
• β: 112.919 ± 0.002°
• γ: 90°
• Cell volume: 12317.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No