Information card for entry 7010956

Structure parameters

• Formula: C60 H80 F12 N7 O2.5 P2 Ru
• Calculated formula: C60 H59 F12 N7 O2.5 P2 Ru
• Title of publication: Derivatives of the [Ru(bipy)(CN)4]2– chromophore with pendant pyridyl-based binding sites: synthesis, pH dependent-luminescence, and time-resolved infrared spectroscopic studies
• Authors of publication: Encinas, Susana; Morales, Angeles Farran; Barigelletti, Francesco; Barthram, Anita M.; White, Claire M.; Couchman, Samantha M.; Jeffery, John C.; Ward, Michael D.; Grills, David C.; George, Michael W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 3312
• a: 11.728 ± 0.004 Å
• b: 16.034 ± 0.006 Å
• c: 18.486 ± 0.006 Å
• α: 76.14 ± 0.03°
• β: 81.46 ± 0.05°
• γ: 75.21 ± 0.04°
• Cell volume: 3249 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No