Information card for entry 7714821

Structure parameters

• Formula: C39 H52 Cl8 N4 O16 Ru2
• Calculated formula: C39 H52 Cl8 N4 O16 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[N](=Cc1[n]3cccc1)CCCC[N]1[Ru]23(OC(=CC(=[O]3)C)C)([O]=C(C=C(O2)C)C)[n]2c(C=1)cccc2.Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl.ClCCl.[O-]Cl(=O)(=O)=O
• Title of publication: Metal-ligand synergy driven functionalisation of alkylene linked bis(aldimine) on a diruthenium(II) platform. Cyclisation <i>versus</i> oxygenation.
• Authors of publication: Biswas, Mitrali; Dey, Sanchaita; Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2167 - 2180
• a: 12.6627 ± 0.0003 Å
• b: 36.9819 ± 0.0007 Å
• c: 12.1433 ± 0.0003 Å
• α: 90°
• β: 103.949 ± 0.002°
• γ: 90°
• Cell volume: 5518.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0752
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No