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Information card for entry 1570407
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Coordinates | 1570407.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (dichloromethyl)triphenylphosphonium chloride |
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Formula | C19 H16 Cl3 P |
Calculated formula | C19 H16 Cl3 P |
Title of publication | Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. |
Authors of publication | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 298 - 306 |
a | 12.2883 ± 0.0002 Å |
b | 12.5399 ± 0.0002 Å |
c | 12.1077 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1865.72 ± 0.05 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 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/1570407.html
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