Information card for entry 1512726

Structure parameters

• Formula: C30 H26 N6 O4 Zn2
• Calculated formula: C30 H26 N6 O4 Zn2
• SMILES: [Zn]123([O]4[Zn]5([O]1c1c(C=[N]3[C@H](c3[n]2cccc3)C)cccc1)([n]1ccccc1[C@H]([N]5=Cc1c4cccc1)C)N=C=O)N=C=O
• Title of publication: Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity
• Authors of publication: Himanshu Sekhar Jena; Vadivelu Manivannan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 210 - 219
• a: 8.6765 ± 0.0012 Å
• b: 16.646 ± 0.002 Å
• c: 10.0095 ± 0.0014 Å
• α: 90°
• β: 94.381 ± 0.007°
• γ: 90°
• Cell volume: 1441.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No