Information card for entry 1563173

Structure parameters

• Formula: C16 H22 Cl2 N4 Ru
• Calculated formula: C16 H22 Cl2 N4 Ru
• SMILES: [Ru]12345(Cl)([n]6c[nH]cc6)([n]6c[nH]cc6)[cH]6[c]1([cH]4[cH]5[c]2([cH]36)C)C(C)C.[Cl-]
• Title of publication: Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole
• Authors of publication: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.
• Journal of publication: Inorganics
• Year of publication: 2021
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 34
• a: 9.3972 ± 0.0002 Å
• b: 17.3629 ± 0.0003 Å
• c: 12.9511 ± 0.0003 Å
• α: 90°
• β: 97.019 ± 0.002°
• γ: 90°
• Cell volume: 2097.3 ± 0.08 ų
• Cell temperature: 300.48 ± 0.1 K
• Ambient diffraction temperature: 300.48 ± 0.1 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: 0.034
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No