Information card for entry 7704770

Structure parameters

• Formula: C48 H68 I14 N8 Na2 O8 W6
• Calculated formula: C48 H68 I14 N8 Na2 O8 W6
• 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: 11.5824 ± 0.0002 Å
• b: 11.7282 ± 0.0002 Å
• c: 14.5135 ± 0.0003 Å
• α: 106.396 ± 0.001°
• β: 91.055 ± 0.001°
• γ: 95.029 ± 0.001°
• Cell volume: 1882.15 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No