Information card for entry 4349665

Structure parameters

• Common name: NQHG2 (2)
• Chemical name: NQHG2
• Formula: C43 H46 Cl2 N2 O4 Ru
• Calculated formula: C43 H46 Cl2 N2 O4 Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(c2c(cc(cc2C)C)C)C2=C(N1c1c(C)cc(cc1C)C)C(=O)c1ccccc1C2=O.O1CCCC1
• Title of publication: A redox-switchable ring-closing metathesis catalyst
• Authors of publication: Lastovickova, Dominika N.; Teator, Aaron J.; Shao, Huiling; Liu, Peng; Bielawski, Christopher W.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1525
• a: 8.38 ± 0.007 Å
• b: 21.58 ± 0.02 Å
• c: 11.072 ± 0.01 Å
• α: 90°
• β: 109.14 ± 0.04°
• γ: 90°
• Cell volume: 1892 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No