Information card for entry 7710445

Structure parameters

• Formula: C42 H26 N6 O6 Ru
• Calculated formula: C42 H26 N6 O6 Ru
• SMILES: [Ru]123(OC4=C(C5=C(O1)C(=O)c1ccccc1C5=O)C(=O)c1c(C4=O)cccc1)([N](=Nc1[n]2cccc1)c1ccccc1)[n]1c(N=[N]3c2ccccc2)cccc1
• Title of publication: Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands
• Authors of publication: Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.5921 ± 0.0002 Å
• b: 10.6083 ± 0.0003 Å
• c: 17.9619 ± 0.0004 Å
• α: 101.563 ± 0.002°
• β: 93.856 ± 0.002°
• γ: 117.094 ± 0.003°
• Cell volume: 1731 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No