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Information card for entry 7129664
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| Coordinates | 7129664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C111 H99 Cl21 Fe N4 Na3 O18 S10 |
|---|---|
| Calculated formula | C111 H99 Cl21 Fe N4 Na3 O18 S10 |
| Title of publication | A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells |
| Authors of publication | Droege, Daniel G.; Johnstone, Timothy C. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 14.0352 ± 0.0001 Å |
| b | 14.4881 ± 0.0001 Å |
| c | 16.9509 ± 0.0001 Å |
| α | 72.645 ± 0.001° |
| β | 80.271 ± 0.001° |
| γ | 86.777 ± 0.001° |
| Cell volume | 3242.56 ± 0.04 Å3 |
| Cell temperature | 100.01 ± 0.11 K |
| Ambient diffraction temperature | 100.01 ± 0.11 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1581 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272501 (current) | 2022-02-04 | cif/ Adding structures of 7129662, 7129663, 7129664 via cif-deposit CGI script. |
7129664.cif |
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Users of the data should acknowledge the original authors of the
structural data.