Information card for entry 1558852

Structure parameters

• Common name: [Zn(Me3-TACN)(CH3C(O)NHO)](NO3)
• Formula: C36 H49 B N4 O3 Zn
• Calculated formula: C36 H49 B N4 O3 Zn
• SMILES: [Zn]123([O]=C(NO1)C)([N]1(C)CC[N]2(C)CC[N]3(C)CC1)[OH]C.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes
• Authors of publication: Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.26 ± 0.018 Å
• b: 11.588 ± 0.019 Å
• c: 14.33 ± 0.02 Å
• α: 69.62 ± 0.06°
• β: 75.44 ± 0.03°
• γ: 80.18 ± 0.07°
• Cell volume: 1689 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No