Information card for entry 1563174

Structure parameters

• Formula: C36 H52 Cl4 N8 O2 Ru2
• Calculated formula: C36 H52 Cl4 N8 O2 Ru2
• SMILES: c1n2cc[n]1[Ru]13456([c]7([cH]1[cH]3[c]4([cH]5[cH]67)C(C)C)C)([n]1ccn(Cn3c[n]([Ru]45678([c]9([cH]4[cH]8[c]5([cH]6[cH]79)C(C)C)C)([n]4ccn(C2)c4)Cl)cc3)c1)Cl.CO.[Cl-].CO.[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: 11.7136 ± 0.0004 Å
• b: 10.34 ± 0.0003 Å
• c: 17.0882 ± 0.0006 Å
• α: 90°
• β: 101.06 ± 0.004°
• γ: 90°
• Cell volume: 2031.26 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No