Information card for entry 4002983

Structure parameters

• Formula: C2 H12 Br4 N6 Sn
• Calculated formula: C2 H12 Br4 N6 Sn
• SMILES: [Sn](Br)(Br)([Br-])[Br-].NC(=[NH2+])N.[NH2+]=C(N)N
• Title of publication: Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.
• Authors of publication: Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.
• Journal of publication: Chemistry of materials : a publication of the American Chemical Society
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2121 - 2129
• a: 32.082 ± 0.003 Å
• b: 8.3226 ± 0.0006 Å
• c: 10.4238 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2783.2 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No