Information card for entry 7005385

Structure parameters

• Common name: bis(ethylenedithio)tetrathiafulvalene mercury(ii) thiocyanate
• Formula: C23 H16 Hg N3 S19
• Calculated formula: C23 H16 Hg N3 S19
• Title of publication: Two alternating BEDT-TTF packing motifs in alpha-kappa-(BEDT-TTF)2Hg(SCN)3.
• Authors of publication: Schlueter, John A.; Geiser, Urs; Whited, Michael A.; Drichko, Natalia; Salameh, Belal; Petukhov, Konstantin; Dressel, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 24
• Pages of publication: 2580 - 2588
• a: 8.3007 ± 0.0007 Å
• b: 11.7644 ± 0.0009 Å
• c: 37.825 ± 0.003 Å
• α: 83.566 ± 0.003°
• β: 86.832 ± 0.003°
• γ: 89.997 ± 0.003°
• Cell volume: 3664.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.611
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No