Information card for entry 7239576

Structure parameters

• Formula: C18 H20 I N O2
• Calculated formula: C18 H20 I N O2
• Title of publication: A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells
• Authors of publication: Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 4055
• a: 7.53 ± 0.002 Å
• b: 13.635 ± 0.003 Å
• c: 34.164 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3507.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No