Information card for entry 7001718

Structure parameters

• Formula: C52 H72 N4 Na2 O2 Zn
• Calculated formula: C52 H72 N4 Na2 O2 Zn
• SMILES: C1(=C(C)N([Zn]2(N1c1c(cc(cc1C)C)C)N(C(=C(C)N2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C.[Na][O]1CCCC1.[Na][O]1CCCC1
• Title of publication: Zinc compounds with or without Zn‒Zn bond: Alkali metal reduction of LZnCl2 (L = α-diimine ligands)
• Authors of publication: Yang, Peiju; Yang, Xiao-Juan; Yu, Jie; Liu, Yanyan; Zhang, Chunxi; Deng, Yu-Heng; Wu, Biao
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 29
• Pages of publication: 5773
• a: 18.267 ± 0.002 Å
• b: 12.2088 ± 0.0017 Å
• c: 12.6174 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No