Information card for entry 7063800

Structure parameters

• Formula: C12 H14 Cl N3 O5 S
• Calculated formula: C12 H14 Cl N3 O5 S
• Title of publication: On zinc(ii) coordination chemistry with furosemide: a journey from a mononuclear complex to a coordination polymer
• Authors of publication: Podjed, Nina; Uranjek, Zarja; Cerc Korošec, Romana; Hrast Rambaher, Martina; Golob, Majda; Modec, Barbara
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 9113 - 9122
• a: 8.18826 ± 0.00007 Å
• b: 4.75496 ± 0.00004 Å
• c: 36.8598 ± 0.0003 Å
• α: 90°
• β: 91.2793 ± 0.0008°
• γ: 90°
• Cell volume: 1434.77 ± 0.02 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No