Information card for entry 7116571

Structure parameters

• Formula: C67 H74 N2 O8 S2
• Calculated formula: C67 H74 N2 O8 S2
• Title of publication: Dipicolinic acid: a strong anchoring group with tunable redox and spectral behavior for stable dye-sensitized solar cells
• Authors of publication: Erik Gabrielsson; Haining Tian; Susanna K. Eriksson; Jiajia Gao; Hong Chen; Fusheng Li; Johan Oscarsson; Junliang Sun; Hakan Rensmo; Lars Kloo; Anders Hagfeldt; Licheng Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3858
• a: 15.302 ± 0.002 Å
• b: 15.3895 ± 0.0011 Å
• c: 15.4431 ± 0.0019 Å
• α: 71.988 ± 0.008°
• β: 60.74 ± 0.013°
• γ: 87.419 ± 0.008°
• Cell volume: 2992.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7116570
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No