Information card for entry 4302895

Structure parameters

• Formula: C22 H16 Cl N3 Ru
• Calculated formula: C22 H16 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([n]7cccc7=C(c7n1ccc7)c1ccc(C#N)cc1)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61
• Title of publication: Heteroleptic Arene Ruthenium Complexes Based onmeso-Substituted Dipyrrins: Synthesis, Structure, Reactivity, and Electrochemical Studies
• Authors of publication: Mahendra Yadav; Ashish Kumar Singh; Biswajit Maiti; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7593 - 7603
• a: 13.1357 ± 0.0003 Å
• b: 7.3731 ± 0.0001 Å
• c: 19.0071 ± 0.0005 Å
• α: 90°
• β: 101.851 ± 0.002°
• γ: 90°
• Cell volume: 1801.62 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No