Information card for entry 7704773

Structure parameters

• Formula: C106.08 H159.4 I42 N16 Nd2 O18.18 S9.56 W18
• Calculated formula: C106.08 H159.396 I42 N16 Nd2 O18.18 S9.56 W18
• Title of publication: Energy transfer in supramolecular [Crypt-RE]-[W₆I₁₄] solids.
• Authors of publication: Hummel, Thorsten; Leis, Wolfgang; Eckhardt, Aaron; Ströbele, Markus; Enseling, David; Jüstel, Thomas; Meyer, Hans-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9795 - 9803
• a: 14.56 ± 0.003 Å
• b: 24.342 ± 0.005 Å
• c: 30.796 ± 0.006 Å
• α: 90°
• β: 100.66 ± 0.003°
• γ: 90°
• Cell volume: 10726 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No