Information card for entry 4308338

Structure parameters

• Formula: C26 H38 B N7 O4 S3 W
• Calculated formula: C26 H38 B N7 O4 S3 W
• SMILES: [W]1234(SC(=C([S]1)C(=O)OC)C(=O)OC)([S]=C4N(CC)CC)[n]1n(c(cc1C)C)[BH](n1[n]2c(C)cc1C)n1[n]3c(C)cc1C
• Title of publication: Formation of Mono(dithiolene)-Thiocarboxamido Complexes in Reactions of Thio(dithiocarbamato)-Mo/W Complexes and Dimethyl Acetylenedicarboxylate
• Authors of publication: Patrick J. Lim; Damian A. Slizys; Edward R. T. Tiekink; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 114 - 121
• a: 12.219 ± 0.002 Å
• b: 13.088 ± 0.002 Å
• c: 11.403 ± 0.002 Å
• α: 102.23 ± 0.01°
• β: 108.84 ± 0.01°
• γ: 91.56 ± 0.01°
• Cell volume: 1677.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No