Information card for entry 7062437

Structure parameters

• Formula: C64 H84 N6 Zn
• Calculated formula: C64 H84 N6 Zn
• SMILES: [Zn]12([N](=C(C=C(N2c2nc(ccc2)C)C)C)c2c(cc(cc2C2CCCC2)C2CCCC2)C2CCCC2)N(c2c(cc(cc2C2CCCC2)C2CCCC2)C2CCCC2)C(=CC(=[N]1c1nc(ccc1)C)C)C
• Title of publication: Syntheses, characterizations and catalytic properties of three zinc complexes and one lithium compound chelated by β-diketiminate ligands
• Authors of publication: Lu, Yanhua; Li, Yafei; She, Yeye; Jia, Chaohong; Li, Yahong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 8933 - 8941
• a: 22.4873 ± 0.0012 Å
• b: 10.3091 ± 0.0005 Å
• c: 23.5539 ± 0.0013 Å
• α: 90°
• β: 97.174 ± 0.002°
• γ: 90°
• Cell volume: 5417.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No