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Information card for entry 4125335
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4125335.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H66 Co N2 Si2 |
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Calculated formula | C41 H66 Co N2 Si2 |
SMILES | [Co]12(=C3N(C4=C(N3c3c(cccc3C(C)C)C(C)C)CCCC4)c3c(cccc3C(C)C)C(C)C)([CH2]=[CH]1[Si](C)(C)C)[CH2]=[CH]2[Si](C)(C)C |
Title of publication | Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets. |
Authors of publication | Yao, Xiao-Nan; Du, Jing-Zhen; Zhang, Yi-Quan; Leng, Xue-Bing; Yang, Mu-Wen; Jiang, Shang-Da; Wang, Zhen-Xing; Ouyang, Zhong-Wen; Deng, Liang; Wang, Bing-Wu; Gao, Song |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 1 |
Pages of publication | 373 - 380 |
a | 10.0663 ± 0.0009 Å |
b | 10.6374 ± 0.001 Å |
c | 19.5657 ± 0.0017 Å |
α | 85.977 ± 0.002° |
β | 85.038 ± 0.002° |
γ | 73.507 ± 0.002° |
Cell volume | 1999.1 ± 0.3 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4125335.html
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Users of the data should acknowledge the original authors of the
structural data.