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Information card for entry 1520101
Preview
| Coordinates | 1520101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CuNPy3Cl |
|---|---|
| Formula | C34.08 H27.23 Cl Cu N4 O1.58 |
| Calculated formula | C34.075 H27.225 Cl Cu N4 O1.575 |
| Title of publication | Facile redox state manipulation in Cu(i) frameworks by utilisation of the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand. |
| Authors of publication | Hua, Carol; Turner, Peter; D'Alessandro, Deanna M |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 34 |
| Pages of publication | 15297 - 15303 |
| a | 10.0513 ± 0.0001 Å |
| b | 28.1929 ± 0.0002 Å |
| c | 12.2189 ± 0.0001 Å |
| α | 90° |
| β | 112.243 ± 0.001° |
| γ | 90° |
| Cell volume | 3204.88 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 6 |
| 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 | 0.1054 |
| Residual factor for significantly intense reflections | 0.1032 |
| Weighted residual factors for significantly intense reflections | 0.3279 |
| Weighted residual factors for all reflections included in the refinement | 0.331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520101.cif |
| 161743 | 2015-10-09 | cif/ Updating files of 1520101, 1520102, 1520103, 1520104 Original log message: Adding full bibliography for 1520101--1520104.cif. |
1520101.cif |
| 137524 | 2015-05-29 | cif/ Adding structures of 1520101, 1520102, 1520103, 1520104 via cif-deposit CGI script. |
1520101.cif |
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