Information card for entry 7034142

Structure parameters

• Chemical name: (NEt4)[MoOSi(t-Bu)Ph2{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-5(CH3CN)-2(H2O)
• Formula: C174 H222 Mo N10 O7 S4 Si
• Calculated formula: C174 H218 Mo N10 O7 S4 Si
• 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: 18.8827 ± 0.0013 Å
• b: 23.9699 ± 0.0018 Å
• c: 20.0864 ± 0.0014 Å
• α: 90°
• β: 102.832 ± 0.007°
• γ: 90°
• Cell volume: 8864.4 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.3094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No