Information card for entry 7028698

Structure parameters

• Formula: C10.46 H9.85 Cu0.31 Fe0.62 N0.62 O0.62 S1.23
• Calculated formula: C10.4615 H9.84615 Cu0.307692 Fe0.615385 N0.615385 O0.615385 S1.23077
• Title of publication: Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.
• Authors of publication: Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4752 - 4761
• a: 23.6577 ± 0.0012 Å
• b: 23.6577 ± 0.0012 Å
• c: 5.8825 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.2254
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No