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Information card for entry 4065275
Preview
Coordinates | 4065275.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H33 Er N O P S |
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Calculated formula | C33 H33 Er N O P S |
SMILES | [Er]123456789([S]=C(P(c%10ccccc%10)c%10ccccc%10)N1c1ccccc1)([O]1CCCC1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61 |
Title of publication | Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides |
Authors of publication | Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5809 |
a | 15.185 ± 0.006 Å |
b | 10.346 ± 0.004 Å |
c | 18.739 ± 0.007 Å |
α | 90° |
β | 93.496 ± 0.005° |
γ | 90° |
Cell volume | 2938 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
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/4065275.html
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Users of the data should acknowledge the original authors of the
structural data.