Information card for entry 7032145

Structure parameters

• Chemical name: (NEt4)2[MoO{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-toluene-5(CH3CN)
• Formula: C173 H227 Mo N11 O5 S4
• Calculated formula: C171.163 H222.408 Mo N10.7704 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: 39.1189 ± 0.0016 Å
• b: 23.7467 ± 0.0011 Å
• c: 20.0641 ± 0.0014 Å
• α: 90°
• β: 107.993 ± 0.008°
• γ: 90°
• Cell volume: 17726.9 ± 1.8 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: 0.1646
• Residual factor for significantly intense reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.3344
• Weighted residual factors for all reflections included in the refinement: 0.3668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No