Information card for entry 4319873

Structure parameters

• Formula: C48 H56 N6 O2 Zn
• Calculated formula: C48 H56 N6 O2 Zn
• SMILES: [Zn]123(Oc4c(cc(cc4C=[N]2c2ccccc2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)c1ccncc1)c1ccncc1)C(C)(C)C)[NH]1CCCCC1.N1CCCCC1
• Title of publication: A General High-Yield Route to Bis(salicylaldimine) Zinc(II) Complexes: Application to the Synthesis of Pyridine-Modified Salen-Type Zinc(II) Complexes
• Authors of publication: Gregory A. Morris; Hongying Zhou; Charlotte L. Stern; SonBinh T. Nguyen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3222 - 3227
• a: 10.588 ± 0.002 Å
• b: 13.021 ± 0.003 Å
• c: 16.951 ± 0.003 Å
• α: 85.157 ± 0.003°
• β: 74.477 ± 0.003°
• γ: 79.69 ± 0.003°
• Cell volume: 2213.7 ± 0.8 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 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: 0.1201
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 1.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No