Information card for entry 7010553

Structure parameters

• Formula: C28 H23 Hg N6 O6.5 S
• Calculated formula: C28 H22 Hg N6 O6.5 S
• SMILES: [Hg]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)OC(=O)CN3S(=O)(=O)c1ccccc1N(=O)=O.O
• Title of publication: Amide group coordination to the Hg2+ ion. Potentiometric, 1H NMR and structural study on Hg2±-N-protected amino acid systems †
• Authors of publication: Saladini, Monica; Menabue, Ledi; Ferrari, Erika; Iacopino, Daniela
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1513
• a: 20.459 ± 0.003 Å
• b: 18.653 ± 0.003 Å
• c: 17.972 ± 0.003 Å
• α: 90°
• β: 109.97 ± 0.02°
• γ: 90°
• Cell volume: 6446.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2017
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.2822
• Weighted residual factors for significantly intense reflections: 0.1947
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No