Information card for entry 1512728

Structure parameters

• Formula: C40 H30 N6 O4 Zn2
• Calculated formula: C40 H30 N6 O4 Zn2
• SMILES: [Zn]123([O]4[Zn]5([O]1c1c(C=[N]3[C@H](c3[n]2cccc3)c2ccccc2)cccc1)([n]1ccccc1[C@H]([N]5=Cc1c4cccc1)c1ccccc1)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: 8.6555 ± 0.0004 Å
• b: 11.6319 ± 0.0006 Å
• c: 17.4024 ± 0.0009 Å
• α: 90°
• β: 94.858 ± 0.003°
• γ: 90°
• Cell volume: 1745.78 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No