Information card for entry 4081027

Structure parameters

• Formula: C38 H74 N6 Zn2
• Calculated formula: C38 H74 N6 Zn2
• SMILES: C1(CCCCC1)N1C(N(CC)CC)=[N](C2CCCCC2)[Zn]2([Zn]1([N](=C(N2C1CCCCC1)N(CC)CC)C1CCCCC1)CC)CC
• 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: 12.27 ± 0.014 Å
• b: 18.443 ± 0.014 Å
• c: 17.572 ± 0.015 Å
• α: 90°
• β: 95.08 ± 0.02°
• γ: 90°
• Cell volume: 3961 ± 6 ų
• Cell temperature: 236 ± 2 K
• Ambient diffraction temperature: 236 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No