Information card for entry 7032572

Structure parameters

• Formula: C23 H15 N O S
• Calculated formula: C23 H15 N O S
• SMILES: c1(ccc(c2ccc3c(c2)c2c(cccc2)n3c2ccccc2)s1)C=O
• Title of publication: A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.
• Authors of publication: Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16601 - 16604
• a: 13.297 ± 0.006 Å
• b: 14.286 ± 0.007 Å
• c: 10.07 ± 0.005 Å
• α: 90°
• β: 103.84 ± 0.007°
• γ: 90°
• Cell volume: 1857.4 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.1308
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No