Information card for entry 7064271

Structure parameters

• Formula: C13 H10 Cl N5 O8
• Calculated formula: C13 H10 Cl N5 O8
• Title of publication: Supramolecular networks of picrate derivatives with tunable hydrogen-bonding densities for selective bacterial killing
• Authors of publication: Sarkar, Sresha; Sultana, Shabnam; Jover, Jesús; Chowdhury, Nilkanta; Bagchi, Angshuman; Das, Chandan; Goswami, Swapnadeep; Chattopadhyay, Dipankar; Roy, Raj Kumar; Saha, Supriyo; Zangrando, Ennio; Sanyal, Ria
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 2994 - 3018
• a: 4.242 ± 0.0002 Å
• b: 14.9824 ± 0.0006 Å
• c: 24.6205 ± 0.0011 Å
• α: 90°
• β: 91.692 ± 0.004°
• γ: 90°
• Cell volume: 1564.08 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No