Information card for entry 7019102

Structure parameters

• Formula: C46 H47 Co N9 O7 S3
• Calculated formula: C46 H47 Co N9 O7 S3
• SMILES: [Co]12([n]3c[nH]c4cccc(N1S(=O)(=O)c1ccc(cc1)C)c34)([n]1c[nH]c3cccc(N2S(=O)(=O)c2ccc(cc2)C)c13)[n]1c[nH]c2c(NS(=O)(=O)c3ccc(cc3)C)cccc12.O(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: 14.0823 ± 0.0013 Å
• b: 21.421 ± 0.0019 Å
• c: 15.6384 ± 0.0014 Å
• α: 90°
• β: 100.98 ± 0.002°
• γ: 90°
• Cell volume: 4631.1 ± 0.7 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: 0.1358
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No