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Information card for entry 4081026
Preview
Coordinates | 4081026.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C95 H122 N10 Zn2 |
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Calculated formula | C95 H122 N10 Zn2 |
SMILES | c1(ccccc1)CN(C1=[N]([Zn]2(N1C1CCCCC1)[N](=C(N([Zn]1([N](=C(N1C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1)[N]2(Cc1ccccc1)Cc1ccccc1)C1CCCCC1)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1)C1CCCCC1)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 | 14.512 ± 0.004 Å |
b | 15.413 ± 0.005 Å |
c | 23.343 ± 0.007 Å |
α | 100.411 ± 0.005° |
β | 93.212 ± 0.005° |
γ | 115.763 ± 0.004° |
Cell volume | 4571 ± 2 Å3 |
Cell temperature | 241 ± 2 K |
Ambient diffraction temperature | 241 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1105 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1453 |
Weighted residual factors for all reflections included in the refinement | 0.1634 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081026.html
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Users of the data should acknowledge the original authors of the
structural data.