Information card for entry 7001714

Structure parameters

• Formula: C64 H102 N4 Na2 O3 Zn2
• Calculated formula: C64 H102 N4 Na2 O3 Zn2
• SMILES: C1=CN([Zn](N1c1c(cccc1C(C)C)C(C)C)[Zn]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Na][O](CC)CC.CCOCC.[Na][O](CC)CC
• 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: 12.3505 ± 0.001 Å
• b: 12.6247 ± 0.001 Å
• c: 12.8227 ± 0.001 Å
• α: 75.659 ± 0.001°
• β: 65.061 ± 0.001°
• γ: 69.182 ± 0.001°
• Cell volume: 1683.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1234
• 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