Information card for entry 1564628

Structure parameters

• Formula: C27 H38 Cl8 N2 O5 Ru
• Calculated formula: C27 H38 Cl8 N2 O5 Ru
• SMILES: [Ru]12345(Cl)(Cl)([c]6([cH]4[c]3([cH]5[c]1([cH]26)C)C)C)=C1N(C)C=CN1C[C@H]1O[C@H]2[C@H](OC(O2)(C)C)[C@H]2OC(O[C@@H]12)(C)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent
• Authors of publication: Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119651
• a: 7.86878 ± 0.00013 Å
• b: 19.0328 ± 0.0004 Å
• c: 12.1261 ± 0.0002 Å
• α: 90°
• β: 99.9494 ± 0.0017°
• γ: 90°
• Cell volume: 1788.75 ± 0.06 ų
• Cell temperature: 99.97 ± 0.1 K
• Ambient diffraction temperature: 99.97 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0186
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No