Information card for entry 4340439

Structure parameters

• Formula: C26 H32 Ag Cl N2 O7
• Calculated formula: C26 H32 Ag Cl N2 O7
• SMILES: [Ag]12[cH]3c4c5cccc4C[N]41CCOCCOCC[N]2(Cc1cccc(c31)c5)CCOCC4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Aza-crown-ether-appended xanthene: selective ratiometric fluorescent probe for silver(i) ion based on arene-metal ion interaction.
• Authors of publication: Takashima, Ippei; Kanegae, Anna; Sugimoto, Manabu; Ojida, Akio
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7080 - 7082
• a: 10.3278 ± 0.0013 Å
• b: 8.8893 ± 0.0011 Å
• c: 26.418 ± 0.004 Å
• α: 90°
• β: 92.104 ± 0.001°
• γ: 90°
• Cell volume: 2423.7 ± 0.6 ų
• Cell temperature: 91 K
• Ambient diffraction temperature: 91 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 significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No