Information card for entry 4350361

Structure parameters

• Chemical name: (NEt4)2[WO2{S2C6H2(NHCOCH3)2}2]-MeOH
• Formula: C37 H64 N6 O7 S4 W
• Calculated formula: C37 H64 N6 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: 19.75 ± 0.03 Å
• b: 20.38 ± 0.03 Å
• c: 13.06 ± 0.02 Å
• α: 90°
• β: 118.24 ± 0.05°
• γ: 90°
• Cell volume: 4631 ± 12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0799
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No