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Information card for entry 2232958
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| Coordinates | 2232958.cif |
|---|---|
| Structure factors | 2232958.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate |
|---|---|
| Formula | C44 H46 I4 N8 O4 |
| Calculated formula | C44 H38 I4 N8 O4 |
| Title of publication | 5,10,15,20-Tetrakis(1-methylpyridinium-4-yl)porphyrin tetraiodide tetrahydrate |
| Authors of publication | Lourenço, Leandro M. O.; Fernandes, José A.; Neves, Maria G. P. M. S.; Cavaleiro, José A. S.; Tomé, João P. C.; Almeida Paz, Filipe A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3157 - o3158 |
| a | 24.3331 ± 0.0004 Å |
| b | 6.5209 ± 0.0001 Å |
| c | 30.5663 ± 0.0005 Å |
| α | 90° |
| β | 95.025 ± 0.001° |
| γ | 90° |
| Cell volume | 4831.43 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 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 2/23/29. |
2232958.cif 2232958.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. |
2232958.cif 2232958.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232958.cif 2232958.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232958.cif 2232958.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232958.cif 2232958.hkl |
| 31849 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232958 via cif-deposit CGI script. |
2232958.cif |
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Users of the data should acknowledge the original authors of the
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