Information card for entry 4069777

Structure parameters

• Formula: C56 H80 N4 Zn2
• Calculated formula: C56 H80 N4 Zn2
• SMILES: [Zn]1([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Zn]1[N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Structure of a Zinc−Zinc-Bonded Compound with a Monoanionic α-Diimine Ligand, [LZn−ZnL] (L = [(2,6-iPr2C6H3)NC(Me)]2−)
• Authors of publication: Liu, Yanyan; Li, Shaoguang; Yang, Xiao-Juan; Yang, Peiju; Gao, Jing; Xia, Yana; Wu, Biao
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5270
• a: 28.299 ± 0.007 Å
• b: 28.299 ± 0.007 Å
• c: 13.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9225 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.2533
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2604
• Weighted residual factors for all reflections included in the refinement: 0.3584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No