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Information card for entry 2204231
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)] |
|---|---|
| Formula | C72 H72 Fe2 N8 O9 |
| Calculated formula | C72 H72 Fe2 N8 O9 |
| Title of publication | μ-Oxo-bis[(protoporphyrin IX dimethyl ester)iron(III)] |
| Authors of publication | Cheng, Lin; Lee, Jonghyuk; Powell, Douglas R.; Richter-Addo, George B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | m1340 - m1342 |
| a | 8.9496 ± 0.0006 Å |
| b | 15.1684 ± 0.0012 Å |
| c | 24.86 ± 0.002 Å |
| α | 107.509 ± 0.002° |
| β | 91.601 ± 0.002° |
| γ | 100.455 ± 0.002° |
| Cell volume | 3152.7 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.186 |
| Weighted residual factors for all reflections included in the refinement | 0.216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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