Information card for entry 2022533

Structure parameters

• Chemical name: Dioxido{2,2'-[l,2-phenylenebis(iminomethylene)]bis(phenolato)}molybdenum(VI) dimethylformamide disolvate
• Formula: C26 H32 Mo N4 O6
• Calculated formula: C26 H32 Mo N4 O6
• SMILES: [Mo]123(Oc4c(cccc4)C[NH]3c3c([NH]1Cc1c(O2)cccc1)cccc3)(=O)=O.O=CN(C)C.O=CN(C)C
• Title of publication: Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones
• Authors of publication: Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 9.601 Å
• b: 12.86 Å
• c: 21.428 Å
• α: 91.44°
• β: 91.49°
• γ: 93.22°
• Cell volume: 2639.68 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No