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Information card for entry 2234250
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| Coordinates | 2234250.cif |
|---|---|
| Structure factors | 2234250.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) |
|---|---|
| Formula | C36 H16 Br4 N4 Ni S4 |
| Calculated formula | C36 H16 Br4 N4 Ni S4 |
| Title of publication | [<i>meso</i>-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) |
| Authors of publication | Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m471 - m472 |
| a | 21.9367 ± 0.0009 Å |
| b | 19.009 ± 0.0009 Å |
| c | 16.1742 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6744.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234250.cif 2234250.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2234250.cif 2234250.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234250.cif 2234250.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. | 2234250.cif 2234250.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234250.cif 2234250.hkl |
| 55517 | 2012-05-05 | cif/ Adding structures of 2234250 via cif-deposit CGI script. |
2234250.cif |
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Users of the data should acknowledge the original authors of the
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