Information card for entry 4318342

Structure parameters

• Formula: C29 H40 N2 S6 W2
• Calculated formula: C29 H40 N2 S6 W2
• 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: 15.112 ± 0.003 Å
• b: 21.515 ± 0.006 Å
• c: 21.445 ± 0.002 Å
• α: 90°
• β: 94.76 ± 0.01°
• γ: 90°
• Cell volume: 6948 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No