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Information card for entry 4345874
Preview
Coordinates | 4345874.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H42 P2 |
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Calculated formula | C49 H42 P2 |
SMILES | P(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Flexibility of the Carbodiphosphorane, (Ph3P)2C: Structural Characterization of a Linear Form. |
Authors of publication | Quinlivan, Patrick J.; Parkin, Gerard |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 10 |
Pages of publication | 5493 - 5497 |
a | 10.9287 ± 0.0005 Å |
b | 10.9287 ± 0.0005 Å |
c | 27.4503 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2839.3 ± 0.2 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 3 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0462 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.1155 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.613 |
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/4345874.html
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Users of the data should acknowledge the original authors of the
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