Information card for entry 1556853

Structure parameters

• Common name: EJAntraL/DCM+AgClO4/MeOH->Layer
• Formula: C174 H186 Ag6 Cl6 N6 O30 S12
• Calculated formula: C174 H186 Ag6 Cl6 N6 O30 S12
• 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: 25.8366 ± 0.0002 Å
• b: 25.8366 ± 0.0002 Å
• c: 25.8366 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17246.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2838
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.3994
• Weighted residual factors for all reflections included in the refinement: 0.4934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No