Information card for entry 7704775

Structure parameters

• Formula: C38.45 H78.08 Cs2 I14 N4 O13.4 W6
• Calculated formula: C38.46 H78.09 Cs2 I14 N4 O13.4 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: 14.8492 ± 0.0004 Å
• b: 15.1634 ± 0.0005 Å
• c: 22.202 ± 0.0008 Å
• α: 72.954 ± 0.003°
• β: 87.373 ± 0.003°
• γ: 59.816 ± 0.002°
• Cell volume: 4100.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No