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Information card for entry 2100668
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Coordinates | 2100668.cif |
---|---|
Original IUCr paper | HTML |
Common name | ethylenediamine |
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Chemical name | 1,2-diaminoethane phase I beta |
Formula | C2 H8 N2 |
Calculated formula | C2 H8 N2 |
SMILES | NCCN |
Title of publication | Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure |
Authors of publication | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | 1078 - 1089 |
a | 4.949 ± 0.006 Å |
b | 7.704 ± 0.008 Å |
c | 4.96 ± 0.03 Å |
α | 90° |
β | 116.7 ± 1.1° |
γ | 90° |
Cell volume | 168.9 ± 1.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.146 |
Residual factor for significantly intense reflections | 0.1423 |
Weighted residual factors for significantly intense reflections | 0.2646 |
Weighted residual factors for all reflections included in the refinement | 0.2664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.76 |
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/2100668.html
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