Information card for entry 2209958

Structure parameters

• Chemical name: (Dimethyl sulfoxide-κO)[3-hydroxy-2-hydroxymethyl-2-(3-methoxy-2- oxidobenzylideneamino-κ^2^O^2^,N)propanolato-κO]dioxomolybdenum(VI)
• Formula: C14 H21 Mo N O8 S
• Calculated formula: C14 H21 Mo N O8 S
• SMILES: [Mo]12(Oc3c(C=[N]2C(CO1)(CO)CO)cccc3OC)(=O)(=O)[O]=S(C)C
• Title of publication: (Dimethyl sulfoxide-κ<i>O</i>)[3-hydroxy-2-hydroxymethyl-2-(3-methoxy-2-oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)propanolato-κ<i>O</i>]dioxomolybdenum(VI)
• Authors of publication: Sui, Yan; Fang, Xiao-Niu; Luo, Qiu-Yan; Chen, Hong-Mei; Zhou, Meng-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1994 - m1996
• a: 14.313 ± 0.0007 Å
• b: 9.2596 ± 0.0005 Å
• c: 14.8563 ± 0.0007 Å
• α: 90°
• β: 115.324 ± 0.001°
• γ: 90°
• Cell volume: 1779.74 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes