Information card for entry 1565311

Structure parameters

• Formula: C19 H31 N O7 W
• Calculated formula: C19 H31 N O7 W
• SMILES: [W]12(Oc3c(C(C)(C)C)cc(cc3C=[N]2C(CO)(CO)CO1)C(C)(C)C)([OH2])(=O)=O
• Title of publication: Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand
• Authors of publication: Salonen, Pasi; Peuronen, Anssi; Lehtonen, Ari
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119414
• a: 19.6296 ± 0.0006 Å
• b: 9.2339 ± 0.0002 Å
• c: 11.4363 ± 0.0004 Å
• α: 90°
• β: 95.334 ± 0.003°
• γ: 90°
• Cell volume: 2063.94 ± 0.11 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No