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Information card for entry 4349787
Preview
| Coordinates | 4349787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H70 B11 Cl1.5 F2 N7 O Zn |
|---|---|
| Calculated formula | C71.8 H65.6 B11 Cl1.6 F2 N7 O Zn |
| Title of publication | Synthesis and photophysical properties of a porphyrin‒BODIPY dyad and a porphyrin‒o-carborane‒BODIPY triad |
| Authors of publication | Berksun, Ekin; Nar, Ilgın; Atsay, Armağan; Özçeşmeci, İbrahim; Gelir, Ali; Hamuryudan, Esin |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 200 |
| a | 12.3211 ± 0.0012 Å |
| b | 17.7113 ± 0.0018 Å |
| c | 17.8335 ± 0.0018 Å |
| α | 113.202 ± 0.002° |
| β | 94.892 ± 0.003° |
| γ | 105.237 ± 0.003° |
| Cell volume | 3372 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3036 |
| Residual factor for significantly intense reflections | 0.1364 |
| Weighted residual factors for significantly intense reflections | 0.3033 |
| Weighted residual factors for all reflections included in the refinement | 0.3856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235832 (current) | 2019-11-24 | cif/ Adding structures of 4349787 via cif-deposit CGI script. |
4349787.cif |
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