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Information card for entry 2235990
Preview
| Coordinates | 2235990.cif |
|---|---|
| Structure factors | 2235990.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(pyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloroform hemisolvate |
|---|---|
| Formula | C49.5 H33.5 Cl2.5 Co N5 |
| Calculated formula | C49 H33 Cl Co N5 |
| SMILES | [Co]123(Cl)(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[n]1ccccc1 |
| Title of publication | Chlorido(pyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloroform hemisolvate |
| Authors of publication | Belghith, Yassin; Daran, Jean-Claude; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1104 - m1105 |
| a | 13.0467 ± 0.0003 Å |
| b | 23.424 ± 0.0007 Å |
| c | 14.3264 ± 0.0005 Å |
| α | 90° |
| β | 103.541 ± 0.003° |
| γ | 90° |
| Cell volume | 4256.5 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181281 (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 2/23/59. |
2235990.cif 2235990.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. |
2235990.cif 2235990.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2235990.cif 2235990.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235990.cif 2235990.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. | 2235990.cif 2235990.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235990.cif 2235990.hkl |
| 66077 | 2012-09-06 | cif/ Adding structures of 2235990 via cif-deposit CGI script. |
2235990.cif |
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Users of the data should acknowledge the original authors of the
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