Information card for entry 7003867

Structure parameters

• Formula: C28 H48 N4 O4 Zn2
• Calculated formula: C28 H48 N4 O4 Zn2
• SMILES: C(C)[Zn]1([n]2ccccc2)[O]=C(N(C(C)C)C(C)C)O[Zn](CC)([n]2ccccc2)[O]=C(N(C(C)C)C(C)C)O1
• Title of publication: Electron density controlled carbamate ligand binding mode: towards a better understanding of metalloenzyme activity
• Authors of publication: Neuhäuser, C.; Domide, D.; Mautz, J.; Kaifer, E.; Himmel, H.-J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1821 - 1824
• a: 8.895 ± 0.0018 Å
• b: 9.042 ± 0.0018 Å
• c: 11.105 ± 0.002 Å
• α: 80.75 ± 0.03°
• β: 73.47 ± 0.03°
• γ: 70.46 ± 0.03°
• Cell volume: 804.8 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No