Information card for entry 7032143

Structure parameters

• Chemical name: (NEt4)2[MoO{S2C6H2{NHCOC(C6H4-t-Bu)3}2}2]-8(toluene)
• Formula: C212 H268 Mo N6 O5 S4
• Calculated formula: C212 H268 Mo N6 O5 S4
• 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: 16.14 ± 0.004 Å
• b: 18.083 ± 0.004 Å
• c: 18.963 ± 0.004 Å
• α: 116.758 ± 0.006°
• β: 91.907 ± 0.008°
• γ: 99.703 ± 0.008°
• Cell volume: 4833.6 ± 1.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2515
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No