Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106584
Preview
Coordinates | 8106584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H18 Cl2 N2 O2 |
---|---|
Calculated formula | C6 H18 Cl2 N2 O2 |
Title of publication | Crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloride monohydrate, C6H18Cl2N2O2 |
Authors of publication | Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 3 |
Pages of publication | 501 - 502 |
a | 7.9597 ± 0.0011 Å |
b | 9.1223 ± 0.0013 Å |
c | 9.2893 ± 0.0012 Å |
α | 118.575 ± 0.003° |
β | 106.507 ± 0.004° |
γ | 97.12 ± 0.004° |
Cell volume | 540.21 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.1156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/8106584.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.