Information card for entry 7102905

Structure parameters

• Formula: N0.2 O0.8 Se1.8 Sn0.6 Zn0.6
• Calculated formula: N0.2 O0.8 Se1.8 Sn0.6 Zn0.6
• Title of publication: [Zn(H2O)4][Zn2Sn3Se9(MeNH2)]: a robust open framework chalcogenide with a large nonlinear optical response.
• Authors of publication: Manos, Manolis J; Jang, Joon I; Ketterson, John B; Kanatzidis, Mercouri G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 972 - 974
• a: 7.8632 ± 0.0012 Å
• b: 8.6162 ± 0.0013 Å
• c: 10.2185 ± 0.0015 Å
• α: 105.735 ± 0.002°
• β: 110.632 ± 0.002°
• γ: 103.174 ± 0.002°
• Cell volume: 582.04 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No