Information card for entry 2228030

Structure parameters

• Chemical name: Dioxidobis{2-[(<i>E</i>)-<i>p</i>-tolyliminomethyl]phenolato}molybdenum(VI)
• Formula: C28 H24 Mo N2 O4
• Calculated formula: C28 H24 Mo N2 O4
• SMILES: [N]1([Mo]2([N](=Cc3c(cccc3)O2)c2ccc(cc2)C)(Oc2ccccc2C=1)(=O)=O)c1ccc(cc1)C
• Title of publication: Dioxidobis{2-[(<i>E</i>)-<i>p</i>-tolyliminomethyl]phenolato}molybdenum(VI)
• Authors of publication: Hatefi, Mehdi; Sheikhshoaie, Iran; Mirkhani, Valiollah; Moghadam, Majid; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1137
• a: 26.375 ± 0.008 Å
• b: 6.8095 ± 0.0008 Å
• c: 15.648 ± 0.01 Å
• α: 90°
• β: 116.94 ± 0.02°
• γ: 90°
• Cell volume: 2505.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2205
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes