Information card for entry 4317623

Structure parameters

• Chemical name: Hexakis(dimethylammonium) tetra(mu4-thio)dodecaisothiocyanatotetratungsten(III,IV) semihydrate
• Formula: C24 H49 N18 O0.5 S16 W4
• Calculated formula: C24 H48 N18 O0.51 S16 W4
• Title of publication: Preparation and Properties of the Aqua Ions [W4S4(H2O)12]n+ (n= 5, 6) and Crystal Structure of (Me2NH2)6[W4S4(NCS)12].0.5H2O#
• Authors of publication: Maxim N. Sokolov; Danil N. Dybtsev; Alexander V.Virovets; Vladimir P.Fedin; Pedro Esparza; Rita Hernandez-Molina; Dieter Fenske; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1136 - 1139
• a: 22.76 ± 0.003 Å
• b: 22.76 ± 0.003 Å
• c: 22.76 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11790 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No