Information card for entry 4318343

Structure parameters

• Formula: C7 H7 N S4 W
• Calculated formula: C7 H7 N S4 W
• Title of publication: Alkylation Reactions of [WS4]2- and [(η5-C5Me5)WS3]- with 2,6-Bis(bromomethyl)pyridine: The First Isolation of Bisalkylated Tetrathiometalate WS2{2,6-(SCH2)2(C5H3N)}
• Authors of publication: Rong Cao; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4102 - 4104
• a: 8.62 ± 0.002 Å
• b: 9.455 ± 0.002 Å
• c: 7.636 ± 0.002 Å
• α: 104.44 ± 0.02°
• β: 115.75 ± 0.02°
• γ: 73.6 ± 0.02°
• Cell volume: 531.9 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0251
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.829
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No