Information card for entry 7017865

Structure parameters

• Formula: C23 H22 Fe2 S3
• Calculated formula: C23 H22 Fe2 S3
• Title of publication: Enhanced light harvesting efficiencies of bis(ferrocenylmethyl)-based sulfur rich sensitizers used in dye sensitized TiO2 solar cells.
• Authors of publication: Singh, Santosh K.; Chauhan, Ratna; Singh, Bandana; Diwan, Kiran; Kociok-Köhn, Gabriele; Bahadur, Lal; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1373 - 1380
• a: 7.7164 ± 0.0003 Å
• b: 10.3973 ± 0.0004 Å
• c: 26.4771 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.25 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No