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Information card for entry 2227485
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| Coordinates | 2227485.cif |
|---|---|
| Structure factors | 2227485.hkl |
| Original IUCr paper | HTML |
| Common name | Ethylenediammonium dibromide |
|---|---|
| Chemical name | Ethane-1,2-diammonium dibromide |
| Formula | C2 H10 Br2 N2 |
| Calculated formula | C2 H10 Br2 N2 |
| SMILES | C([NH3+])C[NH3+].[Br-].[Br-] |
| Title of publication | Ethane-1,2-diammonium dibromide: a redetermination at 100K |
| Authors of publication | Arderne, Charmaine; Kruger, Gert J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2470 |
| a | 15.144 ± 0.002 Å |
| b | 4.7598 ± 0.0007 Å |
| c | 4.8146 ± 0.0007 Å |
| α | 90° |
| β | 101.323 ± 0.002° |
| γ | 90° |
| Cell volume | 340.29 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0134 |
| Residual factor for significantly intense reflections | 0.0132 |
| Weighted residual factors for significantly intense reflections | 0.0346 |
| Weighted residual factors for all reflections included in the refinement | 0.0347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181195 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/74. |
2227485.cif 2227485.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227485.cif 2227485.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227485.cif 2227485.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227485.cif 2227485.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227485.cif 2227485.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227485.cif 2227485.hkl |
| 4522 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227485 via cif-deposit CGI script. |
2227485.cif |
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Users of the data should acknowledge the original authors of the
structural data.