Information card for entry 7123717

Structure parameters

• Chemical name: <i>cis</i>-Dioxo(methanol)(2,4-dihydroxo-salicylaldehyde S-methyldithiocarbazone)molybdenum(VI)
• Formula: C12 H15 Mo N3 O5 S
• Calculated formula: C12 H15 Mo N3 O5 S
• Title of publication: Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.
• Authors of publication: Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.5347 ± 0.0008 Å
• b: 18.3928 ± 0.0019 Å
• c: 11.1854 ± 0.0012 Å
• α: 90°
• β: 107.741 ± 0.001°
• γ: 90°
• Cell volume: 1476.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No