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Information card for entry 2108856
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| Coordinates | 2108856.cif |
|---|---|
| Structure factors | 2108856.hkl |
| Original paper (by DOI) | HTML |
| Common name | Pigment Green 7, Hostaperm Green GNX, Solid solution of CuPcCl16 (main component), CuPcHCl15, CuPcH2Cl14, CuPcH3Cl13 and CuPcH4Cl12. Average composition Cu C32 N8 H1.2 Cl14.8 |
|---|---|
| Chemical name | Perchloro-copper-phthalocyanine |
| Formula | C32 Cl16 Cu N8 |
| Calculated formula | C32 Cl16 Cu N8 |
| Title of publication | Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction |
| Authors of publication | Gorelik, Tatiana E.; Habermehl, Stefan; Shubin, Aleksandr A.; Gruene, Tim; Yoshida, Kaname; Oleynikov, Peter; Kaiser, Ute; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 4 |
| a | 17.5447 ± 0.0017 Å |
| b | 25.9863 ± 0.0021 Å |
| c | 3.76308 ± 0.00058 Å |
| α | 90° |
| β | 95.336 ± 0.016° |
| γ | 90° |
| Cell volume | 1708.2 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor R(I) for significantly intense reflections | 1.113 |
| Goodness-of-fit parameter for all reflections | 2.079 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287932 (current) | 2023-12-01 | cif/ Removed the '_space_group' data item from multiple entries since it is not defined in the official IUCr dictionaries and the same information is already expressed using different data items. |
2108856.cif 2108856.hkl |
| 267815 | 2021-07-29 | cif/ hkl/ Adding structures of 2108856 via cif-deposit CGI script. |
2108856.cif 2108856.hkl |
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Users of the data should acknowledge the original authors of the
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