Information card for entry 7019100

Structure parameters

• Formula: C26.5 H34 Cl2 N3 O3.5 S Zn
• Calculated formula: C26.5 H33.5 Cl2 N3 O3.5 S Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c3c(N1S(=O)(=O)c1ccc(cc1)C)cccc3oc2c1ccccc1.OC.[NH+](CC)(CC)CC
• Title of publication: Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.
• Authors of publication: Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 6507 - 6515
• a: 15.5779 ± 0.001 Å
• b: 11.6168 ± 0.0007 Å
• c: 30.984 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5607 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No