Information card for entry 7043519

Structure parameters

• Formula: C25 H23 Cl2 N5 O2 Ru
• Calculated formula: C25 H23 Cl2 N5 O2 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4c4cccc([n]14)c1cccc[n]21)[n]1ccccc1c1cccc[n]31.[Cl-].O.O
• Title of publication: Structure and reactivity of [RuII(terpy)(N^N)Cl]Cl complexes. Consequences for biological applications
• Authors of publication: van Eldik, Rudi; Katafias, Anna; Impert, Olga; Kozakiewicz, Anna; Surdykowski, Andrzej; Chrzanowska, Marta; Brzozowska, Paulina; Franke, Alicja; Puchta, Ralph; Zahl, Achim
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.585 ± 0.003 Å
• b: 13.764 ± 0.003 Å
• c: 14.616 ± 0.003 Å
• α: 100.75 ± 0.03°
• β: 101.21 ± 0.03°
• γ: 100.51 ± 0.03°
• Cell volume: 2565.1 ± 1.1 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: 0.1481
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No