Information card for entry 1556856

Structure parameters

• Formula: C21 H24 Hg I2 N2 O S3
• Calculated formula: C21 H24 Hg I2 N2 O S3
• Title of publication: Mechanistic insights into heavy metal ion sensing by NOS₂-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.
• Authors of publication: Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
• Journal of publication: The Analyst
• Year of publication: 2020
• Journal volume: 145
• Journal issue: 5
• Pages of publication: 1667 - 1676
• a: 10.0374 ± 0.0015 Å
• b: 31.171 ± 0.006 Å
• c: 8.3311 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No