Information card for entry 1563833

Structure parameters

• Formula: C12 H17 Mo N O5
• Calculated formula: C12 H17 Mo N O5
• SMILES: [Mo]12(Oc3ccc(cc3C=[N]1[C@@H](CO2)C)C)(=O)(=O)[OH]C
• Title of publication: Synthesis, structure, spectroscopic characterization and catalytic activity of chiral dioxidomolybdenum(VI) Schiff base complexes derived from R(−)-2-amino-1-propanol
• Authors of publication: Romanowski, Grzegorz; Kira, Jaromir; Wera, Michał
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 156 - 164
• a: 11.1573 ± 0.0006 Å
• b: 10.9549 ± 0.0004 Å
• c: 12.3044 ± 0.0006 Å
• α: 90°
• β: 110.141 ± 0.006°
• γ: 90°
• Cell volume: 1411.96 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No