Information card for entry 1563175

Structure parameters

• Formula: C17 H20 Cl2 N2 Ru
• Calculated formula: C17 H20 Cl2 N2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6c[nH]c7c6cccc7)[c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C
• 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: 6.832 ± 0.0003 Å
• b: 18.2051 ± 0.0008 Å
• c: 13.6361 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.02 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No