Information card for entry 1565280

Structure parameters

• Formula: C21 H27 Cl2 N5 O4 Ru
• Calculated formula: C21 H27 Cl2 N5 O4 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4c4cccc([n]14)c1cccc[n]21)[N](C)(C)CC[N]3(C)C.[O-]Cl(=O)(=O)=O
• Title of publication: Steric and electronic tuning of the reactivity of [RuII(terpy)(N^N)Cl]Cl complexes
• Authors of publication: Chrzanowska, Marta; Katafias, Anna; Kozakiewicz, Anna; van Eldik, Rudi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119449
• a: 14.0064 ± 0.0017 Å
• b: 11.0364 ± 0.001 Å
• c: 16.083 ± 0.002 Å
• α: 90°
• β: 108.36 ± 0.014°
• γ: 90°
• Cell volume: 2359.6 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No