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Information card for entry 7220973
Preview
| Coordinates | 7220973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H61 Cl16 N9 O11 Zn |
|---|---|
| Calculated formula | C97 H61 Cl16 N9 O11 Zn |
| Title of publication | Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines |
| Authors of publication | Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 14.782 ± 0.0004 Å |
| b | 21.4253 ± 0.0004 Å |
| c | 15.3447 ± 0.0011 Å |
| α | 90° |
| β | 90.858 ± 0.007° |
| γ | 90° |
| Cell volume | 4859.3 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139907 (current) | 2015-07-02 | cif/ Adding structures of 7220973, 7220974, 7220975 via cif-deposit CGI script. |
7220973.cif |
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Users of the data should acknowledge the original authors of the
structural data.