Information card for entry 1512731

Structure parameters

• Formula: C43 H40 N7 O5 Zn2
• Calculated formula: C43 H40 N7 O5 Zn2
• SMILES: [Zn]12345[O](c6c(C[NH]2[C@@H](c2[n]5cccc2)c2ccccc2)cccc6)[Zn]([O]1c1c(C[NH]4[C@@H](c2[n]3cccc2)c2ccccc2)cccc1)(N=C=O)N=C=O.O=CN(C)C.[Zn]12345[O](c6c(C[NH]2[C@H](c2[n]5cccc2)c2ccccc2)cccc6)[Zn]([O]1c1c(C[NH]4[C@H](c2[n]3cccc2)c2ccccc2)cccc1)(N=C=O)N=C=O.O=CN(C)C
• 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: 9.0463 ± 0.0003 Å
• b: 11.3639 ± 0.0004 Å
• c: 20.4068 ± 0.0008 Å
• α: 97.96 ± 0.002°
• β: 92.802 ± 0.002°
• γ: 102.032 ± 0.002°
• Cell volume: 2025.43 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No