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Information card for entry 2239043
Preview
| Coordinates | 2239043.cif |
|---|---|
| Structure factors | 2239043.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (1-Methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(1-methyl-2-nitrosobenzene-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II) dichloromethane monosolvate |
|---|---|
| Formula | C56 H43 Cl2 Fe N7 O |
| Calculated formula | C55 H41 Fe N7 O |
| Title of publication | (1-Methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(1-methyl-2-nitrosobenzene-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II) dichloromethane monosolvate |
| Authors of publication | Abucayon, Erwin G.; Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m51 - m52 |
| a | 12.1749 ± 0.0012 Å |
| b | 13.4571 ± 0.0013 Å |
| c | 15.0439 ± 0.0015 Å |
| α | 107.45 ± 0.002° |
| β | 94.8 ± 0.002° |
| γ | 90.987 ± 0.002° |
| Cell volume | 2340.8 ± 0.4 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239043.cif 2239043.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239043.cif 2239043.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239043.cif 2239043.hkl |
| 104890 | 2014-03-11 | cif/ hkl/ Adding structures of 2239043 via cif-deposit CGI script. |
2239043.cif 2239043.hkl |
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