Information card for entry 1542417

Structure parameters

• Common name: [Cu(t-butylPyridine)4(triflate)2]
• Formula: C38 H52.2 Cu F6 N4 O6.1 S2
• Calculated formula: C38 H52.197 Cu F6 N4 O6.0985 S2
• Title of publication: One Electron Changes Everything. A Multispecies Copper Redox Shuttle for Dye-Sensitized Solar Cells
• Authors of publication: Hoffeditz, William L.; Katz, Michael J.; Deria, Pravas; Cutsail III, George E.; Pellin, Michael J.; Farha, Omar K.; Hupp, Joseph T.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 7
• Pages of publication: 3731
• a: 19.9909 ± 0.0006 Å
• b: 37.6313 ± 0.0011 Å
• c: 11.8656 ± 0.0004 Å
• α: 90°
• β: 93.9256 ± 0.0014°
• γ: 90°
• Cell volume: 8905.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1616
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections: 0.2319
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No