Information card for entry 7064268

Structure parameters

• Formula: C12 H10 N4 O7
• Calculated formula: C12 H10 N4 O7
• 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: 13.0531 ± 0.0002 Å
• b: 7.0994 ± 0.0001 Å
• c: 14.8649 ± 0.0002 Å
• α: 90°
• β: 93.01 ± 0.001°
• γ: 90°
• Cell volume: 1375.62 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No