Information card for entry 7032147

Structure parameters

• Chemical name: (NEt4)2[WO2{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-5(CH3CN)
• Formula: C166 H219 N11 O6 S4 W
• Calculated formula: C166 H219 N11 O6 S4 W
• Title of publication: Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.
• Authors of publication: Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15491 - 15502
• a: 14.503 ± 0.002 Å
• b: 25.17 ± 0.005 Å
• c: 21.806 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7960 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.3046
• Weighted residual factors for all reflections included in the refinement: 0.3496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No