Information card for entry 7062299

Structure parameters

• Formula: C19 H22 Cl2 N4 O Ru
• Calculated formula: C19 H22 Cl2 N4 O Ru
• SMILES: [Ru]123456(Cl)([n]7cc(cn(=O)c7c7nccc[n]17)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Cl-]
• Title of publication: Synthesis of a half-sandwich complex of ruthenium(ii) with a nonsymmetric bis-nitrogen donor ligand: biological investigations
• Authors of publication: Yarahmadi, Sana; Jokar, Elham; Shamsi, Zahra; Nahieh, Dalia; Moosavi, Mehrnoosh; Fereidoonnezhad, Masood; Shahsavari, Hamid R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 6266 - 6274
• a: 11.9611 ± 0.0006 Å
• b: 13.8587 ± 0.0006 Å
• c: 11.9663 ± 0.0006 Å
• α: 90°
• β: 102.052 ± 0.002°
• γ: 90°
• Cell volume: 1939.88 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No