Information card for entry 1574239

Structure parameters

• Formula: C12 H12 Fe0.67 N8 Zn1.33
• Calculated formula: C12 H12 Fe0.6666 N8 Zn1.3334
• Title of publication: Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process
• Authors of publication: León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7946 - 7955
• a: 23.4527 ± 0.0004 Å
• b: 23.4527 ± 0.0004 Å
• c: 12.5316 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6892.7 ± 0.3 ų
• Cell temperature: 120.1 ± 0.4 K
• Ambient diffraction temperature: 120.1 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No