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Information card for entry 4080690
Preview
Coordinates | 4080690.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 K N P S |
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Calculated formula | C16 H21 K N P S |
SMILES | [K+].[S-]P(=Cc1nc2ccccc2cc1)(C(C)C)C(C)C |
Title of publication | Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane |
Authors of publication | Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2584 |
a | 12.8842 ± 0.0009 Å |
b | 9.9351 ± 0.0007 Å |
c | 13.9787 ± 0.001 Å |
α | 90° |
β | 105.895 ± 0.001° |
γ | 90° |
Cell volume | 1720.9 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.071 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4080690.html
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Users of the data should acknowledge the original authors of the
structural data.