Information card for entry 7705715

Structure parameters

• Formula: C39 H50 Br3 Cl3 Dy F12 O10 P3
• Calculated formula: C39 H50 Br3 Cl3 Dy F12 O10 P3
• SMILES: C(P(=[O][Dy](Cl)(Cl)([O]=P(OC(C)C)(OC(C)C)Cc1c(F)c(F)c(Br)c(F)c1F)([O]=P(OC(C)C)(OC(C)C)Cc1c(F)c(F)c(Br)c(F)c1F)[OH2])(OC(C)C)OC(C)C)c1c(F)c(F)c(Br)c(F)c1F.[Cl-]
• Title of publication: Functionalised phosphonate ester supported lanthanide (Ln = La, Nd, Dy, Er) complexes.
• Authors of publication: Koehne, Ingo; Lik, Artur; Gerstel, Miriam; Bruhn, Clemens; Reithmaier, Johann Peter; Benyoucef, Mohamed; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16683 - 16692
• a: 13.4866 ± 0.0011 Å
• b: 14.6216 ± 0.0017 Å
• c: 16.3342 ± 0.0012 Å
• α: 110.663 ± 0.007°
• β: 110.117 ± 0.006°
• γ: 91.21 ± 0.008°
• Cell volume: 2792.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No