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Information card for entry 7113605
Preview
| Coordinates | 7113605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Cl2 Cu N6 |
|---|---|
| Calculated formula | C30 H30 Cl2 Cu N6 |
| SMILES | c1cccc[n]1[Cu]([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ncccc1.[Cl-].c1ccccn1.[Cl-] |
| Title of publication | Exo-metal coordination by a tricyclic [{P(μ-N-2-NC5H4)}2(μ-O)]2 dimer in [{P(μ-N-2-NC5H4)}2(μ-O)]2{CuCl·(C5H5N)2}4 {2-NC5H4 = 2-pyridyl, C5H5N = pyridine) |
| Authors of publication | Bond, Andrew D.; Doyle, Emma L.; García, Felipe; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucía; Wright, Dominic S. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 24 |
| Pages of publication | 2990 - 2991 |
| a | 11.8453 ± 0.0003 Å |
| b | 14.2813 ± 0.0003 Å |
| c | 16.8855 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2856.46 ± 0.13 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103907 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210539 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103907-7103908, 7113605-7113606. Marking entries 7113605-7113606 as duplicates of entries 7103907-7103908. |
7113605.cif |
| 180250 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36. |
7113605.cif |
| 115157 | 2014-06-02 | cif/ Adding structures of 7113605, 7113606 via cif-deposit CGI script. |
7113605.cif |
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