Information card for entry 4513724

Structure parameters

• Formula: C84 H40 N24 O24 Ru4 S12
• Calculated formula: C84 H40 N24 O24 Ru4 S12
• Title of publication: Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.
• Authors of publication: Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 50
• Pages of publication: 27646 - 27653
• a: 31.67 ± 0.005 Å
• b: 22.718 ± 0.005 Å
• c: 22.929 ± 0.005 Å
• α: 90 ± 0.005°
• β: 130.767 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 12494 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No