Information card for entry 7044850

Structure parameters

• Formula: C26 H32 F12 N6 O2 P2 Ru S2
• Calculated formula: C26 H32 F12 N6 O2 P2 Ru S2
• SMILES: c1cccc2[n]1[Ru]13([n]4c(cccc4c4cccc(Nc5cccc[n]15)[n]34)N2)([S](C)CCO)[S](C)CCO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Controlling with light the interaction between trans-tetrapyridyl ruthenium complexes and an oligonucleotide.
• Authors of publication: van Rixel, Vincent H. S.; Moolenaar, Geri F.; Siegler, Maxime A.; Messori, Luigi; Bonnet, Sylvestre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 507 - 516
• a: 18.9321 ± 0.0003 Å
• b: 11.23471 ± 0.00018 Å
• c: 15.6066 ± 0.0002 Å
• α: 90°
• β: 96.7047 ± 0.0015°
• γ: 90°
• Cell volume: 3296.77 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No