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Information card for entry 4519074
Preview
| Coordinates | 4519074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 F6 Fe N8 Sb |
|---|---|
| Calculated formula | C44 H56 F6 Fe N8 Sb |
| Title of publication | Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands |
| Authors of publication | Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 38 |
| Pages of publication | 24777 - 24787 |
| a | 9.9783 ± 0.0012 Å |
| b | 10.928 ± 0.0013 Å |
| c | 11.3674 ± 0.0014 Å |
| α | 75.369 ± 0.0018° |
| β | 88.574 ± 0.0019° |
| γ | 66.4191 ± 0.0018° |
| Cell volume | 1095.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269496 (current) | 2021-10-03 | cif/ Adding structures of 4519074 via cif-deposit CGI script. |
4519074.cif |
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Users of the data should acknowledge the original authors of the
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