Information card for entry 1512730

Structure parameters

• Formula: C34 H44 N12 O4 Zn2
• Calculated formula: C34 H44 N12 O4 Zn2
• SMILES: C(=O)N(C)C.[Zn]1([O](c2c(C[NH]3[C@H](C)c4[n]5cccc4)cccc2)[Zn]2345[O]1c1ccccc1C[NH]2[C@H](C)c1[n]4cccc1)(N=N#N)N=N#N.N(C)(C)C=O.C(=O)N(C)C.[Zn]1([O](c2c(C[NH]3[C@@H](C)c4[n]5cccc4)cccc2)[Zn]2345[O]1c1ccccc1C[NH]2[C@@H](C)c1[n]4cccc1)(N=N#N)N=N#N.N(C)(C)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: 11.8857 ± 0.0009 Å
• b: 19.1656 ± 0.0014 Å
• c: 18.9389 ± 0.0012 Å
• α: 90°
• β: 116.113 ± 0.004°
• γ: 90°
• Cell volume: 3873.9 ± 0.5 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: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No