Information card for entry 4071825

Structure parameters

• Formula: C48 H64 K2 N4 Zn
• Calculated formula: C48 H64 K2 N4 Zn
• SMILES: [Zn]12([N]3([K][N]1(C(=C3C)C)c1c(cccc1CC)CC)c1c(cccc1CC)CC)[N]1([K][N]2(C(=C1C)C)c1c(cccc1CC)CC)c1c(cccc1CC)CC
• Title of publication: Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent
• Authors of publication: Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5800
• a: 16.507 ± 0.003 Å
• b: 13.602 ± 0.003 Å
• c: 19.924 ± 0.004 Å
• α: 90°
• β: 101.92 ± 0.03°
• γ: 90°
• Cell volume: 4377 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2626
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No