Information card for entry 7033388

Structure parameters

• Formula: C18 H18 Mo N2 O5
• Calculated formula: C18 H18 Mo N2 O5
• SMILES: [Mo]123(=O)(=O)Oc4c([NH]3C(c3[n]2cccc3)C(=C(O1)C)C(=O)C)cc(cc4)C
• Title of publication: cis-{MoO2}(2+) assisted Mannich-type addition of acetylacetonate methine to the azomethine of tridentate Schiff bases: racemic complexes with chiral transformed ligands.
• Authors of publication: Kurapati, Sathish Kumar; Pal, Samudranil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2401 - 2408
• a: 7.9031 ± 0.0005 Å
• b: 8.4137 ± 0.0007 Å
• c: 14.0404 ± 0.0009 Å
• α: 75.991 ± 0.006°
• β: 83.346 ± 0.005°
• γ: 78.967 ± 0.006°
• Cell volume: 886.72 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0631
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No