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Information card for entry 4340263
Preview
| Coordinates | 4340263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H48 Cu4 N24 O0 |
|---|---|
| Calculated formula | C64 H48 Cu4 N24 |
| SMILES | c1[n]2c(ccc1)c1cc[n]3n1[Cu]142([n]2ccccc2c2ccnn42)[n]2n4[Cu]53([n]3ccccc3c3n5[n](cc3)[Cu]356([n]7n8c(c9[n](cccc9)[Cu]98([n]8ccccc8c8n9[n]1cc8)[n]1ccc(c8cccc[n]38)n51)cc7)[n]1ccccc1c1ccnn61)[n]1ccccc1c4cc2 |
| Title of publication | Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds. |
| Authors of publication | Hu, Tong-Liang; Li, Jian-Rong; Liu, Chun-Sen; Shi, Xue-Song; Zhou, Jiang-Ning; Bu, Xian-He; Ribas, Joan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 162 - 173 |
| a | 12.884 ± 0.003 Å |
| b | 18.068 ± 0.004 Å |
| c | 12.618 ± 0.003 Å |
| α | 90° |
| β | 103.291 ± 0.004° |
| γ | 90° |
| Cell volume | 2858.6 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1172 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179505 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02. |
4340263.cif |
| 118706 | 2014-06-30 | cif/ Adding structures of 4340260, 4340261, 4340262, 4340263, 4340264, 4340265, 4340266 via cif-deposit CGI script. |
4340263.cif |
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