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Information card for entry 4345165
Preview
| Coordinates | 4345165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H88 Cl4 Cu F8 N10 |
|---|---|
| Calculated formula | C76 H88 Cl4 Cu F8 N10 |
| Title of publication | The Salts of Copper Octafluoro- and Hexadecafluorophthalocyanines Containing [Cu(II)(F8Pc)(4-)](2-) Dianions and [CuF16Pc](-) Monoanions. |
| Authors of publication | Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Ishikawa, Manabu; Faraonov, Maxim A.; Khasanov, Salavat S.; Litvinov, Alexey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 4 |
| Pages of publication | 1804 - 1813 |
| a | 8.5731 ± 0.0007 Å |
| b | 25.247 ± 0.002 Å |
| c | 16.6358 ± 0.0011 Å |
| α | 90° |
| β | 94.704 ± 0.007° |
| γ | 90° |
| Cell volume | 3588.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.257 |
| Residual factor for significantly intense reflections | 0.1157 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345165.cif |
| 193428 | 2017-03-04 | cif/ Updating files of 4345165, 4345166 Original log message: Adding full bibliography for 4345165--4345166.cif. |
4345165.cif |
| 191827 | 2017-02-07 | cif/ Adding structures of 4345165 via cif-deposit CGI script. |
4345165.cif |
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Users of the data should acknowledge the original authors of the
structural data.