Information card for entry 4071823

Structure parameters

• Formula: C48 H68 N4 Na2 O2 Zn
• Calculated formula: C48 H68 N4 Na2 O2 Zn
• SMILES: [Zn]12([N]3([Na]([N]1(C(=C3C)C)c1c(cccc1C)C)[O](CC)CC)c1c(cccc1C)C)[N]1([Na]([N]2(C(=C1C)C)c1c(cccc1C)C)[O](CC)CC)c1c(cccc1C)C
• 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: 11.5189 ± 0.0005 Å
• b: 23.1977 ± 0.0009 Å
• c: 18.0425 ± 0.0007 Å
• α: 90°
• β: 96.279 ± 0.002°
• γ: 90°
• Cell volume: 4792.3 ± 0.3 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: 0.1383
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No