Information card for entry 4071822

Structure parameters

• Formula: C72 H106 K2 N4 O4 Zn2
• Calculated formula: C72 H106 K2 N4 O4 Zn2
• SMILES: CC1=C(C)N([Zn](N1c1c(cccc1C(C)C)C(C)C)[Zn]1N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[K]([O]1CCCC1)[O]1CCCC1.[K]([O]1CCCC1)[O]1CCCC1
• 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: 13.4672 ± 0.0016 Å
• b: 20.206 ± 0.002 Å
• c: 14.0769 ± 0.0017 Å
• α: 90°
• β: 91.367 ± 0.002°
• γ: 90°
• Cell volume: 3829.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No