Information card for entry 8105429

Structure parameters

• Formula: C19 H22 Mo N2 O7 S
• Calculated formula: C19 H22 Mo N2 O7 S
• SMILES: [Mo]12(OC(=N[N]2=Cc2c(O1)c(OCC)ccc2)c1cc(OC)ccc1)(=O)(=O)[O]=S(C)C
• Title of publication: Crystal structure of (N,N-dimethylsulphoxide)-[N-(3-ethoxy-2-(oxide)benzylidene)-3-methoxybenzenecarbohydrazonato-κ3 N,O,O′]-dioxo-molybdenum(VI), C19H22MoN2O7S
• Authors of publication: Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1231 - 1233
• a: 7.9719 ± 0.0002 Å
• b: 10.3854 ± 0.0002 Å
• c: 13.1042 ± 0.0003 Å
• α: 81.451 ± 0.002°
• β: 72.444 ± 0.002°
• γ: 87.93 ± 0.002°
• Cell volume: 1022.85 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No