Information card for entry 2023334

Structure parameters

• Chemical name: Poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]
• Formula: C4 H14 Ge I6 N2
• Calculated formula: C4 H14 Ge I6 N2
• SMILES: I[Ge](I)([I-])[I-].ICC[NH3+].ICC[NH3+]
• Title of publication: Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]
• Authors of publication: Kucheriv, Olesia I.; Apostu, Mircea-Odin; Prysiazhna, Olena; Potaskalov, Vadim A.; Malinkin, Sergey O.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 8.1431 ± 0.0002 Å
• b: 8.8362 ± 0.0002 Å
• c: 25.1787 ± 0.0007 Å
• α: 90°
• β: 97.264 ± 0.002°
• γ: 90°
• Cell volume: 1797.17 ± 0.08 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No