Information card for entry 7237580

Structure parameters

• Chemical name: Sn(NCS)2
• Formula: C2 N2 S2 Sn
• Calculated formula: C2 N2 S2 Sn
• Title of publication: Tin(ii) thiocyanate Sn(NCS)2 ‒ a wide band gap coordination polymer semiconductor with a 2D structure
• Authors of publication: Wechwithayakhlung, Chayanit; Packwood, Daniel M.; Chaopaknam, Jidapa; Worakajit, Pimpisut; Ittisanronnachai, Somlak; Chanlek, Narong; Promarak, Vinich; Kongpatpanich, Kanokwan; Harding, David J.; Pattanasattayavong, Pichaya
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 3452
• a: 4.8792 ± 0.0004 Å
• b: 5.6694 ± 0.0004 Å
• c: 10.1845 ± 0.0008 Å
• α: 100.369 ± 0.002°
• β: 97.316 ± 0.002°
• γ: 93.225 ± 0.002°
• Cell volume: 273.96 ± 0.04 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No