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Information card for entry 2019832
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| Coordinates | 2019832.cif |
|---|---|
| Structure factors | 2019832.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>}iron(III) |
|---|---|
| Formula | C64 H64 Cl Fe N8 O4 |
| Calculated formula | C64 H64 Cl Fe N8 O4 |
| Title of publication | Crystal structure of chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ4N}iron(III) |
| Authors of publication | Awasabisah, Dennis; 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 | 2 |
| Pages of publication | m42 |
| a | 17.763 ± 0.003 Å |
| b | 17.652 ± 0.003 Å |
| c | 20.145 ± 0.004 Å |
| α | 90° |
| β | 110.57 ± 0.004° |
| γ | 90° |
| Cell volume | 5913.8 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1693 |
| Residual factor for significantly intense reflections | 0.0923 |
| Weighted residual factors for significantly intense reflections | 0.2449 |
| Weighted residual factors for all reflections included in the refinement | 0.2798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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. |
2019832.cif 2019832.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. |
2019832.cif 2019832.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. |
2019832.cif 2019832.hkl |
| 130257 | 2015-02-01 | cif/ hkl/ Adding structures of 2019832 via cif-deposit CGI script. |
2019832.cif 2019832.hkl |
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Users of the data should acknowledge the original authors of the
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