Information card for entry 7704940

Structure parameters

• Formula: C33 H40 Cl5 N3 O2 Ru
• Calculated formula: C33 H40 Cl5 N3 O2 Ru
• 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: 11.5321 ± 0.0002 Å
• b: 14.4899 ± 0.0003 Å
• c: 21.9677 ± 0.0004 Å
• α: 90°
• β: 97.797 ± 0.007°
• γ: 90°
• Cell volume: 3636.84 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No