Information card for entry 4308337

Structure parameters

• Formula: C26 H39.5 B Mo N7 O4.75 S3
• Calculated formula: C26 H38 B Mo N7 O4.75 S3
• 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: 30.6 ± 0.01 Å
• b: 13.764 ± 0.003 Å
• c: 16.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6867 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.214
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.229
• 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: Yes
• Has Fobs: No