Information card for entry 4077627

Structure parameters

• Formula: C23 H38 N2 O8 S6 W
• Calculated formula: C23 H18 N2 O8 S6 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: 9.278 ± 0.003 Å
• b: 13.794 ± 0.004 Å
• c: 14.174 ± 0.002 Å
• α: 71.82 ± 0.03°
• β: 76.68 ± 0.02°
• γ: 78.16 ± 0.03°
• Cell volume: 1659.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No