Information card for entry 7029227

Structure parameters

• Formula: C40 H50 N4 O5 S3 Zn
• Calculated formula: C40 H50 N4 O5 S3 Zn
• Title of publication: Spectroscopic properties of Zn(salphenazine) complexes and their application in small molecule organic solar cells.
• Authors of publication: Salassa, Giovanni; Ryan, James W.; Escudero-Adán, Eduardo C; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 210 - 221
• a: 16.9962 ± 0.0006 Å
• b: 13.2017 ± 0.0005 Å
• c: 18.0315 ± 0.0007 Å
• α: 90°
• β: 94.076 ± 0.002°
• γ: 90°
• Cell volume: 4035.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No