Information card for entry 7056345

Structure parameters

• Formula: C34 H28 Fe2 N6 O5
• Calculated formula: C34 H28 Fe2 N6 O5
• Title of publication: Ferrocenyl Benzimidazole with Carboxylic and Nitro Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells
• Authors of publication: Yadav, Reena; SINGH, AMITA; Kociok-Kohn, Gabriele; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.6685 ± 0.0004 Å
• b: 9.6685 ± 0.0004 Å
• c: 27.3428 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2213.56 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No