Information card for entry 7041603

Structure parameters

• Formula: C31 H22 Cl3 N5 O0 Ru
• Calculated formula: C31 H22 Cl3 N5 Ru
• SMILES: [Ru]123(Cl)([n]4c(c5[n]1cccc5)cc(c1ccc(Cl)cc1)cc4c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.[Cl-]
• Title of publication: Kinetic and mechanistic study on the reactions of ruthenium(ii) chlorophenyl terpyridine complexes with nucleobases, oligonucleotides and DNA.
• Authors of publication: Milutinović, Milan M; Elmroth, Sofi K. C.; Davidović, Goran; Rilak, Ana; Klisurić, Olivera R; Bratsos, Ioannis; Bugarčić, Živadin D
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2360 - 2369
• a: 10.6319 ± 0.0006 Å
• b: 11.2402 ± 0.0005 Å
• c: 14.0886 ± 0.0005 Å
• α: 80.307 ± 0.003°
• β: 84.555 ± 0.004°
• γ: 69.904 ± 0.004°
• Cell volume: 1557.33 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No