Information card for entry 4081025

Structure parameters

• Formula: C58 H82 N6 Zn2
• Calculated formula: C58 H82 N6 Zn2
• SMILES: C1(=[N](C2CCCCC2)[Zn]2(CC)N(C(=[N](C3CCCCC3)[Zn]2(N1C1CCCCC1)CC)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction
• Authors of publication: Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3721
• a: 13.026 ± 0.008 Å
• b: 20.302 ± 0.008 Å
• c: 22.688 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6000 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No