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Information card for entry 4133360
Preview
Coordinates | 4133360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H97 N2 P Th |
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Calculated formula | C66 H97 N2 P Th |
SMILES | [c]12([c]3([cH]4[c]5([cH]1[Th]167892345([c]2([c]1([cH]6[c]7([cH]82)C(C)(C)C)C(C)(C)C)C(C)(C)C)N=C1c2ccccc2C(N91)=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1ccccc1 |
Title of publication | A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies. |
Authors of publication | Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 43 |
Pages of publication | 14511 - 14525 |
a | 12.4141 ± 0.0003 Å |
b | 14.2991 ± 0.0004 Å |
c | 18.8879 ± 0.0004 Å |
α | 99.847 ± 0.002° |
β | 97.762 ± 0.002° |
γ | 96.856 ± 0.002° |
Cell volume | 3238.1 ± 0.14 Å3 |
Cell temperature | 99.98 ± 0.1 K |
Ambient diffraction temperature | 99.98 ± 0.1 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 | 0.0719 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.152 |
Weighted residual factors for all reflections included in the refinement | 0.1604 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4133360.html
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Users of the data should acknowledge the original authors of the
structural data.