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Information card for entry 2236956
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| Coordinates | 2236956.cif |
|---|---|
| Structure factors | 2236956.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)] |
|---|---|
| Formula | C9 H18 Cu2 N7 |
| Calculated formula | C9 H18 Cu2 N7 |
| SMILES | [Cu](C#[N][Cu]123[NH2]CC[NH]1CC[NH]2CC[NH2]3)(C#N)C#N |
| Title of publication | [(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)] |
| Authors of publication | Corfield, Peter W. R.; Grillo, Scott A.; Umstott, Nancy S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1532 - m1533 |
| a | 7.363 ± 0.003 Å |
| b | 8.741 ± 0.006 Å |
| c | 11.492 ± 0.006 Å |
| α | 77.84 ± 0.03° |
| β | 73.78 ± 0.03° |
| γ | 83.18 ± 0.03° |
| Cell volume | 692.8 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181291 (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 2/23/69. |
2236956.cif 2236956.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. |
2236956.cif 2236956.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2236956.cif 2236956.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236956.cif 2236956.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. | 2236956.cif 2236956.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236956.cif 2236956.hkl |
| 71220 | 2013-01-18 | cif/ Adding structures of 2236956 via cif-deposit CGI script. |
2236956.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.