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Information card for entry 2243266
Preview
| Coordinates | 2243266.cif |
|---|---|
| Structure factors | 2243266.hkl |
| Original IUCr paper | HTML |
| Chemical name | {4-[10,15,20-Tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II) |
|---|---|
| Formula | C50 H36 N6 O5 Zn |
| Calculated formula | C50 H36 N6 O5 Zn |
| Title of publication | Crystal structure of {4-[10,15,20-tris(4-methoxyphenyl)porphyrin-5-yl]benzyl 2-diazoacetato}zinc(II) |
| Authors of publication | Carrie, Daniel; Roisnel, Thierry; Simonneaux, Gerard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| Pages of publication | 273 - 275 |
| a | 10.8054 ± 0.0008 Å |
| b | 19.3938 ± 0.0014 Å |
| c | 12.7467 ± 0.001 Å |
| α | 90° |
| β | 98.523 ± 0.003° |
| γ | 90° |
| Cell volume | 2641.7 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247441 (current) | 2020-02-01 | cif/ hkl/ Adding structures of 2243266 via cif-deposit CGI script. |
2243266.cif 2243266.hkl |
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Users of the data should acknowledge the original authors of the
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