Information card for entry 7240896

Structure parameters

• Formula: C29 H58 Cl2 N11 O8 P3 Ru
• Calculated formula: C29 H58 Cl2 N11 O8 P3 Ru
• SMILES: [Ru]1(C#[O])([P]23CN4CN(C2)CN(C3)C4)([P]23CN4CN(C3)CN(C2)C4)([P]23CN4CN(C2)CN(C3)C4)[n]2ccccc2c2[n]1cccc2.[Cl-].[Cl-].O.O.O.O.O.O.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: 12.784 ± 0.005 Å
• b: 13.566 ± 0.0012 Å
• c: 23.229 ± 0.003 Å
• α: 90°
• β: 103.121 ± 0.005°
• γ: 90°
• Cell volume: 3923.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No