Information card for entry 4320269

Structure parameters

• Formula: C44 H48 N4 O6 Zn
• Calculated formula: C44 H48 N4 O6 Zn
• SMILES: [Zn]12([N](c3c(cccc3C(C)C)C(C)C)=Cc3cc(ccc3O1)N(=O)=O)[N](c1c(cccc1C(C)C)C(C)C)=Cc1cc(ccc1O2)N(=O)=O.c1ccccc1
• Title of publication: Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand
• Authors of publication: Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5051 - 5054
• a: 14.501 ± 0.004 Å
• b: 14.397 ± 0.004 Å
• c: 20.191 ± 0.004 Å
• α: 90°
• β: 106.999 ± 0.013°
• γ: 90°
• Cell volume: 4031.1 ± 1.8 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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 significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.5593
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No