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Information card for entry 2019864
Preview
| Coordinates | 2019864.cif |
|---|---|
| Structure factors | 2019864.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II)‒1-methyl-1<i>H</i>-imidazole (1/2) |
|---|---|
| Formula | C60 H52 Fe N12 |
| Calculated formula | C60 H52 Fe N12 |
| Title of publication | Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2) |
| Authors of publication | Guan, Ye; Powell, Douglas R.; Richter-Addo, George B. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m57 |
| a | 9.3108 ± 0.0004 Å |
| b | 10.1943 ± 0.0004 Å |
| c | 13.4745 ± 0.0005 Å |
| α | 81.557 ± 0.002° |
| β | 79.143 ± 0.002° |
| γ | 77.797 ± 0.003° |
| Cell volume | 1220.03 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019864.cif 2019864.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019864.cif 2019864.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019864.cif 2019864.hkl |
| 131682 | 2015-02-11 | cif/ hkl/ Adding structures of 2019864 via cif-deposit CGI script. |
2019864.cif 2019864.hkl |
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