Information card for entry 7062446

Structure parameters

• Formula: C10 H19 N7 O5 S
• Calculated formula: C10 H19 N7 O5 S
• SMILES: c1c(c(c(c(C)n1)O)/C=N/NC1=NNC(=S)N1N)CO.O.O.O
• Title of publication: Dual responsive pyridoxal-AHMT based fluorescent sensor towards zinc(ii) and mercury(ii) ions and its bioimaging application
• Authors of publication: Karthick, Kettalu Ananthan; Shankar, Bhaskaran; Gayathri, Santhalingam; Aravind, Manikka Kubendran; Ashokkumar, Balasubramaniem; Tamilselvi, Arunachalam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 9427 - 9439
• a: 6.849 ± 0.0002 Å
• b: 9.0017 ± 0.0002 Å
• c: 14.0341 ± 0.0003 Å
• α: 92.744 ± 0.002°
• β: 98.751 ± 0.002°
• γ: 112.305 ± 0.002°
• Cell volume: 785.89 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No