Information card for entry 7044851

Structure parameters

• Formula: C22 H22 Cl2 N6 O Ru S
• Calculated formula: C22 H22 Cl2 N6 O Ru S
• SMILES: [Ru]123(Cl)([S](C)(C)=O)[n]4ccccc4Nc4cccc(c5cccc([n]25)Nc2cccc[n]32)[n]14.[Cl-]
• 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: 12.6164 ± 0.0002 Å
• b: 13.6053 ± 0.0003 Å
• c: 14.3404 ± 0.0003 Å
• α: 100.173 ± 0.0017°
• β: 92.912 ± 0.0016°
• γ: 106.039 ± 0.0017°
• Cell volume: 2315.58 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No