Information card for entry 7126214

Structure parameters

• Formula: C7 H25 I8 N11 Sn2
• Calculated formula: C7 H25 I8 N11 Sn2
• SMILES: [Sn](I)(I)([I-])[I-].[Sn](I)(I)[I-].[I-].NC(=[NH2+])N.NC(=[NH2+])N.NC(=[NH2+])N.n1(cc[nH+]c1)C
• Title of publication: Unprecedented tin iodide perovskite-like structures featuring ordering of organic moieties.
• Authors of publication: McNulty, Jason A.; Lightfoot, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 33
• Pages of publication: 4543 - 4546
• a: 9.353 ± 0.0007 Å
• b: 12.8318 ± 0.0009 Å
• c: 15.0588 ± 0.0011 Å
• α: 111.452 ± 0.003°
• β: 102.192 ± 0.003°
• γ: 91.234 ± 0.003°
• Cell volume: 1634.4 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No