Information card for entry 7058169

Structure parameters

• Formula: C13 H12 Fe O2
• Calculated formula: C13 H12 Fe O2
• Title of publication: Ferrocenylethenyl-substituted oxadiazoles with phenolic and nitro anchors as sensitizers in dye sensitized solar cells
• Authors of publication: Singh, Amita; Kociok-Köhn, Gabriele; Trivedi, Manoj; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.; Terashima, Chiaki; Fujishima, Akira
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4745
• a: 8.6991 ± 0.0003 Å
• b: 11.5638 ± 0.0004 Å
• c: 11.4461 ± 0.0004 Å
• α: 90°
• β: 110.945 ± 0.004°
• γ: 90°
• Cell volume: 1075.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.97 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No