Information card for entry 7019097

Structure parameters

• Formula: C38 H38 Co N4 O10 S2
• Calculated formula: C38 H38 Co N4 O10 S2
• SMILES: c1[n](c2c(cccc2NS(=O)(=O)c2ccc(cc2)C)o1)[Co]12([n]3coc4cccc(c34)NS(=O)(=O)c3ccc(cc3)C)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]2)C)C
• 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: 10.764 ± 0.002 Å
• b: 11.592 ± 0.002 Å
• c: 15.174 ± 0.003 Å
• α: 90°
• β: 103.642 ± 0.002°
• γ: 90°
• Cell volume: 1839.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No