Information card for entry 1504846

Structure parameters

• Formula: C22 H16 Hg N6 O7 S
• Calculated formula: C22 H16 Hg N6 O7 S
• SMILES: [Hg]1(N(S(=O)(=O)c2ccccc2)c2c3[n]1c(ccc3c(cc2)N=Nc1ccc(N(=O)=O)cc1)C)ON(=O)=O
• Title of publication: Chromofluorescent indicator for intracellular Zn2+/Hg2+ dynamic exchange.
• Authors of publication: Lee, Jeong Won; Jung, Hyo Sung; Kwon, Pil Seung; Kim, Jong Wan; Bartsch, Richard A.; Kim, Youngmee; Kim, Sung-Jin; Kim, Jong Seung
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 3801 - 3804
• a: 22.629 ± 0.002 Å
• b: 15.2721 ± 0.0016 Å
• c: 15.4352 ± 0.0016 Å
• α: 90°
• β: 113.893 ± 0.002°
• γ: 90°
• Cell volume: 4877.2 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 443 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No