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Information card for entry 2019442
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| Coordinates | 2019442.cif |
|---|---|
| Structure factors | 2019442.hkl |
| Original IUCr paper | HTML |
| Common name | iron(III)chlorooctaethylporphyrin |
|---|---|
| Chemical name | Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) |
| Formula | C36 H44 Cl Fe N4 |
| Calculated formula | C36 H44 Cl Fe N4 |
| Title of publication | Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III): a new triclinic polymorph of Fe(OEP)Cl |
| Authors of publication | Kohnhorst, Saifon A.; Haller, Kenneth J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 368 - 374 |
| a | 10.4495 ± 0.0003 Å |
| b | 10.7805 ± 0.0004 Å |
| c | 15.736 ± 0.0005 Å |
| α | 71.949 ± 0.001° |
| β | 73.034 ± 0.001° |
| γ | 82.44 ± 0.001° |
| Cell volume | 1610.42 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019442.cif 2019442.hkl |
| 180862 | 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 2/01/94. |
2019442.cif 2019442.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. |
2019442.cif 2019442.hkl |
| 108739 | 2014-04-03 | cif/ hkl/ Adding structures of 2019442 via cif-deposit CGI script. |
2019442.cif 2019442.hkl |
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Users of the data should acknowledge the original authors of the
structural data.