Information card for entry 7705877

Structure parameters

• Formula: C51 H42 Cl9 F6 N6 O4 P Ru
• Calculated formula: C51 H42 Cl9 F6 N6 O4 P Ru
• 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: 16.43 ± 0.0007 Å
• b: 17.9246 ± 0.0009 Å
• c: 19.3808 ± 0.0007 Å
• α: 83.218 ± 0.002°
• β: 85.892 ± 0.002°
• γ: 79.659 ± 0.002°
• Cell volume: 5568.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No