Information card for entry 7131798

Structure parameters

• Chemical name: catena-[bis(heptan-2-ammonium) bis(mu-iodo)-diiodo-tin]
• Formula: C14 H36 I4 N2 Sn
• Calculated formula: C14 H36 I4 N2 Sn
• Title of publication: A two-dimensional lead-free hybrid perovskite semiconductor with reduced melting temperature.
• Authors of publication: Singh, Akash; Crace, Ethan; Xie, Yi; Mitzi, David B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 53
• Pages of publication: 8302 - 8305
• a: 9.2171 ± 0.0004 Å
• b: 8.5923 ± 0.0004 Å
• c: 34.046 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.3 ± 0.2 ų
• Cell temperature: 299.97 ± 0.1 K
• Ambient diffraction temperature: 299.97 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.357
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No