Information card for entry 7010957

Structure parameters

• Formula: C44 H36 Cl2 F12 N10 P2 Pt Ru
• Calculated formula: C44 H36 Cl2 F12 N10 P2 Pt Ru
• SMILES: [Pt]1([n]2c(c3[n]1cccc3c1[n]3[Ru]45([n]6c(cccc6)c3ccc1)([n]1c(cccc1)c1[n]4cccc1)[n]1c(cccc1)c1[n]5cccc1)cccc2)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N.N#CC
• 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: 10.7911 ± 0.0015 Å
• b: 14.057 ± 0.003 Å
• c: 31.308 ± 0.005 Å
• α: 90°
• β: 98.006 ± 0.012°
• γ: 90°
• Cell volume: 4702.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No