Information card for entry 7063801

Structure parameters

• Formula: C66 H52 Cl2 N8 O20 S2 Zn3
• Calculated formula: C66 H52 Cl2 N8 O20 S2 Zn3
• 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: 21.0265 ± 0.0002 Å
• b: 9.3017 ± 0.0001 Å
• c: 34.366 ± 0.0003 Å
• α: 90°
• β: 93.7 ± 0.001°
• γ: 90°
• Cell volume: 6707.37 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No