Information card for entry 4077626

Structure parameters

• Formula: C18 H25 N2 O8.5 S7 W
• Calculated formula: C18 H24 N2 O9 S7 W
• Title of publication: Transformations Leading to the Generation of Dithiolene Ligands Initiated by Reactions of Sulfur-Rich WS(S2)(S2CNR2)2Complexes with Dimethyl Acetylenedicarboxylate and Phenylacetylene
• Authors of publication: Lim, Patrick J.; Cook, Vernon C.; Doonan, Christian J.; Young, Charles G.; Tiekink, Edward R. T.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5643
• a: 11.873 ± 0.004 Å
• b: 12.229 ± 0.009 Å
• c: 20.913 ± 0.003 Å
• α: 90°
• β: 93.68 ± 0.02°
• γ: 90°
• Cell volume: 3030 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0559
• Goodness-of-fit parameter for significantly intense reflections: 1.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No