Information card for entry 1548143

Structure parameters

• Formula: C16 H56 I10 N8 Sn
• Calculated formula: C16 H56 I10 N8 Sn
• SMILES: [I-].[I-].[I-].[I-].[Sn](I)(I)([I-])([I-])([I-])[I-].[NH2+](CC[NH2+]C)C.[NH2+](CC[NH2+]C)C.[NH2+](C)CC[NH2+]C.[NH2+](CC[NH2+]C)C
• Title of publication: Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.
• Authors of publication: Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 586 - 593
• a: 10.7464 ± 0.0007 Å
• b: 10.8924 ± 0.0007 Å
• c: 11.1796 ± 0.0007 Å
• α: 64.2658 ± 0.0007°
• β: 80.1825 ± 0.0007°
• γ: 72.8331 ± 0.0007°
• Cell volume: 1124.94 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0178
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No