Information card for entry 4081028

Structure parameters

• Formula: C34 H64 N6 Zn
• Calculated formula: C34 H64 N6 Zn
• SMILES: [Zn]12([N](C3CCCCC3)=C(N1C1CCCCC1)N(CC)CC)[N](C1CCCCC1)=C(N2C1CCCCC1)N(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: 10.6224 ± 0.0019 Å
• b: 10.0139 ± 0.0019 Å
• c: 34.027 ± 0.007 Å
• α: 90°
• β: 98.902 ± 0.004°
• γ: 90°
• Cell volume: 3575.9 ± 1.2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 4
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No