Information card for entry 1563874

Structure parameters

• Formula: C22 H36 Cl2 N6 O2 Ru
• Calculated formula: C22 H36 Cl2 N6 O2 Ru
• SMILES: [Ru]12345([n]6ccn(c6)C)([n]6ccn(C)c6)([n]6ccn(c6)C)[cH]6[c]4([cH]3[cH]1[c]2([cH]56)C)C(C)C.[Cl-].[Cl-].O.O
• Title of publication: Further insights into ruthenium(II) piano-stool complexes with N-alkyl imidazoles
• Authors of publication: Djukić, Maja; Jeremić, Marija S.; Jelić, Ratomir; Klisurić, Olivera; Kojić, Vesna; Jakimov, Dimitar; Djurdjević, Predrag; Matović, Zoran D.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 359 - 370
• a: 8.61484 ± 0.00015 Å
• b: 17.3362 ± 0.0003 Å
• c: 18.2674 ± 0.0003 Å
• α: 90°
• β: 98.3299 ± 0.0015°
• γ: 90°
• Cell volume: 2699.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No