Information card for entry 7019098

Structure parameters

• Formula: C38 H38 N4 Ni O10 S2
• Calculated formula: C38 H38 N4 Ni O10 S2
• SMILES: c1[n]([Ni]23([n]4coc5cccc(c45)NS(=O)(=O)c4ccc(cc4)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C)c2c(o1)cccc2NS(=O)(=O)c1ccc(cc1)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: 10.6601 ± 0.0007 Å
• b: 11.664 ± 0.0007 Å
• c: 15.1089 ± 0.0009 Å
• α: 90°
• β: 103.468 ± 0.001°
• γ: 90°
• Cell volume: 1827 ± 0.2 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: 0.0421
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No