Information card for entry 7034143

Structure parameters

• Chemical name: (NEt4)[WO(OSitBuPh2)[S2C6H2[NHCOC(C6H4tBu)3]2}2]-7/2(CH3CN)-5/2(H2O)
• Formula: C171 H218.5 N8.5 O8.5 S4 Si W
• Calculated formula: C171 H213.5 N8.5 O8.5 S4 Si W
• Title of publication: Efficient uptake of dimethyl sulfoxide by the desoxomolybdenum(iv) dithiolate complex containing bulky hydrophobic groups.
• Authors of publication: Hasenaka, Yuki; Okamura, Taka-Aki; Onitsuka, Kiyotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6260 - 6267
• a: 18.246 ± 0.003 Å
• b: 20.495 ± 0.004 Å
• c: 26.099 ± 0.004 Å
• α: 93.493 ± 0.007°
• β: 104.138 ± 0.007°
• γ: 90.07 ± 0.006°
• Cell volume: 9445 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.2707
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No