Information card for entry 7707825

Structure parameters

• Formula: C40 H48 Cd N10 O4
• Calculated formula: C40 H48 Cd N10 O4
• SMILES: [C@@H]1(COC2=[N]1[Cd]134(N5C(c6ccccc6C5=NC5=[N]1[C@H](CO5)C(C)C)=N2)[N]1[C@H](COC=1N=C1c2ccccc2C(N31)=NC1=[N]4[C@H](CO1)C(C)C)C(C)C)C(C)C
• Title of publication: Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.
• Authors of publication: Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10041 - 10049
• a: 19.1032 ± 0.0014 Å
• b: 19.103 Å
• c: 11.8529 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3746 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No