Information card for entry 2103104

Structure parameters

• Common name: [Bis(ethylenedithio)tetrathiafulvalene] tetrathiocyanatokalium mercury 2:1
• Formula: C24 H20 Hg K N4 S20
• Calculated formula: C24 Hg K N4 S20.026
• Title of publication: Crystal and electronic structure of a new metallic modification of (ET)~2~[KHg(NCS)~4~]
• Authors of publication: Kazheva, Olga; Canadell, Enric; Aleksandrov, Grigorii; Kushch, Nataliya; Dyachenko, Oleg
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 471 - 476
• a: 6.648 ± 0.001 Å
• b: 14.888 ± 0.003 Å
• c: 20.38 ± 0.004 Å
• α: 86.2 ± 0.03°
• β: 86.02 ± 0.03°
• γ: 81 ± 0.03°
• Cell volume: 1984.3 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No