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Information card for entry 7218394
Preview
Coordinates | 7218394.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 Cl2 N3 O2 P |
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Calculated formula | C19 H28 Cl2 N3 O2 P |
Title of publication | Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study |
Authors of publication | Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 47 |
Pages of publication | 10870 |
a | 13.2836 ± 0.0003 Å |
b | 9.9293 ± 0.0002 Å |
c | 17.5975 ± 0.0005 Å |
α | 90° |
β | 109.596 ± 0.002° |
γ | 90° |
Cell volume | 2186.62 ± 0.09 Å3 |
Cell temperature | 119.9 ± 0.6 K |
Ambient diffraction temperature | 119.9 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0332 |
Weighted residual factors for all reflections included in the refinement | 0.0348 |
Goodness-of-fit parameter for significantly intense reflections | 1.88 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.74 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/7218394.html
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