Information card for entry 1565542

Structure parameters

• Formula: C17 H13 Cl2 N5 O3 Ru
• Calculated formula: C17 H13 Cl2 N5 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)([O]=C(N=C2Nc3c(N2)cccc3)c2[n]1cccc2)(C#[O])C#[O].C(#N)C
• Title of publication: Ruthenium(II) complexes of pyridine-carboxamide ligands bearing appended benzothiazole/benzimidazole rings: Structural diversity and catalysis
• Authors of publication: Vijayan, Paranthaman; Yadav, Samanta; Yadav, Sunil; Gupta, Rajeev
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119285
• a: 10.2686 ± 0.0006 Å
• b: 12.0973 ± 0.0008 Å
• c: 15.7733 ± 0.001 Å
• α: 90°
• β: 91.326 ± 0.002°
• γ: 90°
• Cell volume: 1958.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No