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Information card for entry 2237947
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| Coordinates | 2237947.cif |
|---|---|
| Structure factors | 2237947.hkl |
| Original IUCr paper | HTML |
| Chemical name | Sodium bis(ethylenediamine)copper(II) tetracyanidocuprate(I) |
|---|---|
| Formula | C8 H16 Cu2 N8 Na |
| Calculated formula | C8 H16 Cu2 N8 Na |
| SMILES | C(#N)[Cu](C#N)(C#N)C#N.[Na+].[NH2]1[Cu]2([NH2]CC[NH2]2)[NH2]CC1 |
| Title of publication | Sodium bis(ethylenediamine)copper(II) tetracyanidocuprate(I) |
| Authors of publication | Corfield, Peter W. R.; Dobbs, Robert K.; Bell, Brian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m307 - m308 |
| a | 8.842 ± 0.001 Å |
| b | 10.743 ± 0.001 Å |
| c | 15.268 ± 0.003 Å |
| α | 90° |
| β | 98.32 ± 0.01° |
| γ | 90° |
| Cell volume | 1435 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/79. |
2237947.cif 2237947.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237947.cif 2237947.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237947.cif 2237947.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237947.cif 2237947.hkl |
| 86635 | 2013-07-11 | cif/ Adding structures of 2237947 via cif-deposit CGI script. |
2237947.cif |
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Users of the data should acknowledge the original authors of the
structural data.