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Information card for entry 2239006
Preview
| Coordinates | 2239006.cif |
|---|---|
| Structure factors | 2239006.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)copper(I) |
|---|---|
| Formula | C11 H24 Cu2 N7 |
| Calculated formula | C11 H24 Cu2 N7 |
| SMILES | C([Cu](C#N)C#N)#[N][Cu]12([NH2]CC[NH]1CC)[NH2]CC[NH]2CC |
| Title of publication | μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)copper(I) |
| Authors of publication | Corfield, Peter W. R.; Michalski, Joseph F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m76 - m77 |
| a | 11.425 ± 0.001 Å |
| b | 9.679 ± 0.002 Å |
| c | 15.205 ± 0.003 Å |
| α | 90° |
| β | 91.52 ± 0.01° |
| γ | 90° |
| Cell volume | 1680.8 ± 0.5 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0231 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239006.cif 2239006.hkl |
| 181309 | 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 2/23/90. |
2239006.cif 2239006.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. |
2239006.cif 2239006.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2239006.cif 2239006.hkl |
| 104838 | 2014-03-11 | cif/ hkl/ Adding structures of 2239006 via cif-deposit CGI script. |
2239006.cif 2239006.hkl |
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Users of the data should acknowledge the original authors of the
structural data.