Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000118
Preview
| Coordinates | 8000118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H52 Br4 Co2 N16 P |
|---|---|
| Calculated formula | C88 H52 Br4 Co2 N16 P |
| Title of publication | One-step Synthesis of Partially Oxidized Cobalt(III) Phthalocyanine Salts with Axial Ligands |
| Authors of publication | Yu, Derrick Etherbert C.; Imai, Hiroyuki; Ushio, Mamoru; Takeda, Sayaka; Naito, Toshio; Inabe, Tamotsu |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 6 |
| Pages of publication | 602 |
| a | 21.4119 ± 0.0019 Å |
| b | 21.4119 ± 0.0019 Å |
| c | 7.6088 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3488.4 ± 0.5 Å3 |
| Cell temperature | 123.1 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000118.cif |
| 94266 | 2014-01-22 | cif/ Adding structures of 8000117, 8000118 via cif-deposit CGI script. |
8000118.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.