Information card for entry 7705711

Structure parameters

• Formula: C78 H120 Br6 Cl6 Nd2 O18 P6
• Calculated formula: C78 H120 Br6 Cl6 Nd2 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: 14.0648 ± 0.0005 Å
• b: 29.1214 ± 0.0012 Å
• c: 14.285 ± 0.0005 Å
• α: 90°
• β: 116.184 ± 0.002°
• γ: 90°
• Cell volume: 5250.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No