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Information card for entry 4081027
Preview
Coordinates | 4081027.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H74 N6 Zn2 |
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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 Å3 |
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 |
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