Information card for entry 7001717

Structure parameters

• Formula: C40 H48 N4 Zn
• Calculated formula: C40 H48 N4 Zn
• SMILES: [Zn]12([N](=CC=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[N](=CC=[N]2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Zinc compounds with or without Zn‒Zn bond: Alkali metal reduction of LZnCl2 (L = α-diimine ligands)
• Authors of publication: Yang, Peiju; Yang, Xiao-Juan; Yu, Jie; Liu, Yanyan; Zhang, Chunxi; Deng, Yu-Heng; Wu, Biao
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5773
• a: 30.0006 ± 0.0007 Å
• b: 7.5969 ± 0.0002 Å
• c: 16.3834 ± 0.0004 Å
• α: 90°
• β: 105.817 ± 0.001°
• γ: 90°
• Cell volume: 3592.59 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No