Information card for entry 7705878

Structure parameters

• Formula: C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5
• Calculated formula: C71.5 H57.5 Cl2 F9 N9 O12 P1.5 Ru1.5
• Title of publication: Cyclometalated Ru(II) complexes with tunable redox and optical properties for dye-sensitized solar cells.
• Authors of publication: Lavrova, Maria A.; Mishurinskiy, Sergey A.; Smirnov, Daniil E.; Kalle, Paulina; Krivogina, Ekaterina V.; Kozyukhin, Sergey A.; Emets, Viktor V.; Mariasina, Sofia S.; Dolzhenko, Vladimir D.; Bezzubov, Stanislav I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16935 - 16945
• a: 53.215 ± 0.003 Å
• b: 12.7933 ± 0.0006 Å
• c: 21.3714 ± 0.0009 Å
• α: 90°
• β: 102.394 ± 0.0015°
• γ: 90°
• Cell volume: 14210.5 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No