Information card for entry 1512729

Structure parameters

• Formula: C30 H30 N6 O4 Zn2
• Calculated formula: C30 H30 N6 O4 Zn2
• SMILES: [Zn]123([NH]([C@@H](C)c4cccc[n]14)Cc1c(cccc1)[O]3[Zn]13([O]2c2c(C[NH]3[C@H](c3[n]1cccc3)C)cccc2)N=C=O)N=C=O.[Zn]123([NH]([C@H](C)c4cccc[n]14)Cc1c(cccc1)[O]3[Zn]13([O]2c2c(C[NH]3[C@@H](c3[n]1cccc3)C)cccc2)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: 9.039 ± 0.002 Å
• b: 11.126 ± 0.004 Å
• c: 31.323 ± 0.01 Å
• α: 90°
• β: 91.162 ± 0.019°
• γ: 90°
• Cell volume: 3149.4 ± 1.7 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: 0.0715
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No