Information card for entry 7240895

Structure parameters

• Formula: C17 H22 Cl2 N5 O2 P Ru
• Calculated formula: C17 H22 Cl2 N5 O2 P Ru
• SMILES: [Ru]1(Cl)(Cl)(C#[O])([P]23CN4CN(C2)CN(C3)C4)[n]2ccccc2c2[n]1cccc2.O
• Title of publication: Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine
• Authors of publication: Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 45
• Pages of publication: 26717 - 26727
• a: 6.799 ± 0.01 Å
• b: 21.768 ± 0.005 Å
• c: 13.521 ± 0.003 Å
• α: 90°
• β: 94.767 ± 0.019°
• γ: 90°
• Cell volume: 1994 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No