Information card for entry 1573616

Structure parameters

• Formula: C2 H5 Cu I N
• Calculated formula: C2 H5 Cu I N
• Title of publication: Inducing piezoelectric behavior in a copper iodide cubane cluster-based metal-organic framework <i>via</i> linker engineering.
• Authors of publication: Panda, Sankalpa N.; Pradhan, Prabhanjan; Nath, Satyapriya; Mohapatra, Jeebanjyoti; Patra, Biplab K.; Biswal, Bishnu P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 12
• Pages of publication: 2536 - 2539
• a: 17.5937 ± 0.0005 Å
• b: 17.5937 ± 0.0005 Å
• c: 7.3368 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1966.76 ± 0.1 ų
• Cell temperature: 113 ± 19 K
• Ambient diffraction temperature: 113 ± 19 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No