Information card for entry 4080035

Structure parameters

• Formula: C27 H48 Cl N5 O13 Ru S2
• Calculated formula: C27 H48 Cl N5 O13 Ru S2
• SMILES: [Ru]123456(Cl)([n]7c(N8C=1N(C=C8)CCCS(=O)(=O)[O-])cccc7n1c[n+](cc1)CCCS(=O)(=O)[O-])[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.O.O.O.O.O.O.O
• Title of publication: Synthesis and Characterization of Highly Water Soluble Ruthenium(II) and Osmium(II) Complexes Bearing Chelating Sulfonated N-Heterocyclic Carbene Ligands
• Authors of publication: Jantke, Dominik; Cokoja, Mirza; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 741
• a: 12.5606 ± 0.0011 Å
• b: 12.9986 ± 0.0012 Å
• c: 13.2163 ± 0.0012 Å
• α: 117.132 ± 0.004°
• β: 98.286 ± 0.004°
• γ: 105.827 ± 0.004°
• Cell volume: 1754.4 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.039
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No