Information card for entry 7714887

Structure parameters

• Formula: C15 H24 Cl2 N2 O2 Zn
• Calculated formula: C15 H24 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[N](=Cc2ccc(C)cc2O1)CC[NH+]1CCCCC1.O
• Title of publication: Comparative analysis of Zn(II)-complexes as model metalloenzymes for mimicking Jack bean urease.
• Authors of publication: Ghanta, Rinku; Chowdhury, Tania; Ghosh, Avik; Das, Avijit K.; Chattopadhyay, Tanmay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2373 - 2385
• a: 9.042 ± 0.004 Å
• b: 10.15 ± 0.005 Å
• c: 11.002 ± 0.005 Å
• α: 101.564 ± 0.017°
• β: 98.128 ± 0.015°
• γ: 109.61 ± 0.016°
• Cell volume: 907.7 ± 0.7 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2628
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No