Information card for entry 7704937

Structure parameters

• Formula: C32 H39 Cl5 N2 O Ru
• Calculated formula: C32 H39 Cl5 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClC(Cl)Cl
• Title of publication: Second-coordination sphere effects on the reactivities of Hoveyda-Grubbs-type catalysts: a ligand exchange study using phenolic moiety-functionalized ligands.
• Authors of publication: Jatmika, Catur; Goshima, Kenta; Wakabayashi, Kazumo; Akiyama, Naoki; Hirota, Shun; Matsuo, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11618 - 11627
• a: 25.8626 ± 0.0005 Å
• b: 25.8626 ± 0.0005 Å
• c: 10.8856 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7281.1 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No