Information card for entry 7705719

Structure parameters

• Formula: C78 H126 Cl6 La2 O18 P6
• Calculated formula: C78 H126 Cl6 La2 O18 P6
• 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: 13.9287 ± 0.0004 Å
• b: 13.9984 ± 0.0004 Å
• c: 14.8205 ± 0.0004 Å
• α: 91.1 ± 0.002°
• β: 104.058 ± 0.002°
• γ: 119.094 ± 0.002°
• Cell volume: 2417.11 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No