Information card for entry 4350360

Structure parameters

• Chemical name: (NEt4)2[WO{S2C6H2(NHCOCH3)2}2]-2(DMF)
• Formula: C42 H74 N8 O7 S4 W
• Calculated formula: C42 H74 N8 O7 S4 W
• Title of publication: Dioxotungsten 1,2-benzenedithiolate complex stabilized by NH...S hydrogen bonds.
• Authors of publication: Baba, Koji; Okamura, Taka-aki; Yamamoto, Hitoshi; Yamamoto, Tetsuo; Ohama, Mitsuo; Ueyama, Norikazu
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8365 - 8371
• a: 21.371 ± 0.004 Å
• b: 9.099 ± 0.005 Å
• c: 28.513 ± 0.003 Å
• α: 90°
• β: 108.854 ± 0.011°
• γ: 90°
• Cell volume: 5247 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2498
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No