Information card for entry 7101984

Structure parameters

• Formula: C72 H112 N4 Na2 O4 Zn2
• Calculated formula: C72 H112 N4 Na2 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.[Na]([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: A new zinc‒zinc-bonded compound with a dianionic α-diimine ligand: synthesis and structure of [Na(THF)~2~]~2~·[LZn‒ZnL] (L = [(2,6-^i^Pr~2~C~6~H~3~)N(Me)C]~2~^2-^)
• Authors of publication: Yang, Xiao-Juan; Yu, Jie; Liu, Yanyan; Xie, Yaoming; Schaefer, Henry F.; Liang, Yongmin; Wu, Biao
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2363 - 2365
• a: 13.0184 ± 0.0002 Å
• b: 20.3636 ± 0.0004 Å
• c: 13.8961 ± 0.0003 Å
• α: 90°
• β: 90.332 ± 0.001°
• γ: 90°
• Cell volume: 3683.81 ± 0.12 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: 0.0843
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No