Information card for entry 1563998

Structure parameters

• Chemical name: Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H) -selonato-κSe](η6-p-cymene)-ruthenium(II)
• Formula: C34 H56 Cl2 N2 O8 Ru2 Se2
• Calculated formula: C34 H56 Cl2 N2 O8 Ru2 Se2
• SMILES: [Ru]1234567([Se]([Ru]89%10%11%12%13([Se]1=C1C(O8)=C(N(C=C1)C)C)[c]1([cH]9[cH]%10[c]%11([cH]%12[cH]%131)C)C(C)C)=C1C(O2)=C(N(C=C1)C)C)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C)C(C)C.[Cl-].[Cl-].O.O.O.O.O.O
• Title of publication: First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations
• Authors of publication: Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119919
• a: 12.8659 ± 0.0006 Å
• b: 13.4894 ± 0.0007 Å
• c: 14.2629 ± 0.0007 Å
• α: 98.869 ± 0.002°
• β: 106.802 ± 0.002°
• γ: 115.474 ± 0.002°
• Cell volume: 2025.19 ± 0.18 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No