Information card for entry 4113784

Structure parameters

• Formula: C0.5 H34 K10 O16.5 Se17 Sn4 Zn4
• Calculated formula: C0.5 K10 O16.5 Se17 Sn4 Zn4
• Title of publication: Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn)
• Authors of publication: Stefanie Dehnen; Michael K. Brandmayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6618 - 6619
• a: 15.384 ± 0.002 Å
• b: 15.384 ± 0.002 Å
• c: 25.386 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6008 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No