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Information card for entry 2244055
Preview
| Coordinates | 2244055.cif |
|---|---|
| Structure factors | 2244055.hkl |
| Original paper (by DOI) | HTML |
| Common name | [Chlorin(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136) |
|---|---|
| Chemical name | [<i>cis</i>-7,8-Dihydroxy-5,10,15,20-tetraphenylchlorinato(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136) |
| Formula | C46.14 H38.54 N6 O2.14 Zn |
| Calculated formula | C46.136 H38.544 N6 O2.136 Zn |
| Title of publication | Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex |
| Authors of publication | Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 10.1249 ± 0.0003 Å |
| b | 13.54 ± 0.0004 Å |
| c | 27.0447 ± 0.0008 Å |
| α | 90° |
| β | 95.1464 ± 0.0011° |
| γ | 90° |
| Cell volume | 3692.64 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273719 (current) | 2022-03-16 | cif/ hkl/ Adding structures of 2244054, 2244055 via cif-deposit CGI script. |
2244055.cif 2244055.hkl |
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Users of the data should acknowledge the original authors of the
structural data.