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Information card for entry 7205824
Preview
| Coordinates | 7205824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Cl2 Cu N6 |
|---|---|
| Calculated formula | C14 H12 Cl2 Cu N6 |
| Title of publication | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands |
| Authors of publication | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2890 |
| a | 7.7004 ± 0.0014 Å |
| b | 9.5195 ± 0.0018 Å |
| c | 11.112 ± 0.002 Å |
| α | 79.404 ± 0.003° |
| β | 86.652 ± 0.003° |
| γ | 80.058 ± 0.003° |
| Cell volume | 788.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180389 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58. |
7205824.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205824.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205824.cif |
| 21022 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205821, 7205822, 7205823, 7205824, 7205825, 7205826 via cif-deposit CGI script. |
7205824.cif |
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Users of the data should acknowledge the original authors of the
structural data.