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Information card for entry 4077872
Preview
Coordinates | 4077872.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H66 N2 O2 Zn |
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Calculated formula | C52 H66 N2 O2 Zn |
SMILES | [Zn]1([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C#Cc1ccccc1)C#Cc1ccccc1.O1CCCC1.O1CCCC1 |
Title of publication | Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene |
Authors of publication | Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 2978 |
a | 12.684 ± 0.003 Å |
b | 15.004 ± 0.003 Å |
c | 24.541 ± 0.005 Å |
α | 90° |
β | 92.469 ± 0.003° |
γ | 90° |
Cell volume | 4666.1 ± 1.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1405 |
Weighted residual factors for all reflections included in the refinement | 0.1523 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4077872.html
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