Information card for entry 7218372

Structure parameters

• Formula: C28 H24 Cu F6 I2 N4 P
• Calculated formula: C28 H24 Cu F6 I2 N4 P
• Title of publication: Halos show the path to perfection: peripheral iodo-substituents improve the efficiencies of bis(diimine)copper(i) dyes in DSCs
• Authors of publication: Malzner, Frederik J.; Brauchli, Sven Y.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 89
• Pages of publication: 48712
• a: 20.1617 ± 0.0012 Å
• b: 29.1275 ± 0.0018 Å
• c: 13.5247 ± 0.0008 Å
• α: 90°
• β: 130.048 ± 0.002°
• γ: 90°
• Cell volume: 6080 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0853
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No