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Information card for entry 2312389
Preview
| Coordinates | 2312389.cif |
|---|---|
| Structure factors | 2312389.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(II) |
|---|---|
| Formula | C54 H42 Cl4 Fe N6 |
| Calculated formula | C54 H42 Cl4 Fe N6 |
| Title of publication | Synthesis and crystal structure of bis-(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ<sup>4</sup><i>N</i>]iron(II). |
| Authors of publication | Nasri, Soumaya |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 10 |
| Pages of publication | 931 - 935 |
| a | 10.9679 ± 0.0005 Å |
| b | 16.924 ± 0.0007 Å |
| c | 13.3536 ± 0.0005 Å |
| α | 90° |
| β | 114.015 ± 0.001° |
| γ | 90° |
| Cell volume | 2264.15 ± 0.16 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289232 (current) | 2024-01-31 | cif/ hkl/ Adding structures of 2312389 via cif-deposit CGI script. |
2312389.cif 2312389.hkl |
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