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Information card for entry 2234934
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| Coordinates | 2234934.cif |
|---|---|
| Structure factors | 2234934.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido- κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III) |
|---|---|
| Formula | C36 H24 Cl6 Co N9 |
| Calculated formula | C36 H24 Cl6 Co N9 |
| SMILES | c1(ccc(cc1)Cl)N1N=[N](c2ccc(cc2)Cl)[Co]231([N](c1ccc(cc1)Cl)=NN2c1ccc(cc1)Cl)[N](c1ccc(cc1)Cl)=NN3c1ccc(cc1)Cl |
| Title of publication | Tris[(2<i>E</i>)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido-κ^2^<i>N</i>^1^,<i>N</i>^3^]cobalt(III) |
| Authors of publication | Yu, Gang; Zhan, Shu-Zhong; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m758 |
| a | 19.383 ± 0.003 Å |
| b | 19.383 Å |
| c | 17.546 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5708.9 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1085 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181271 (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 2/23/49. |
2234934.cif 2234934.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. |
2234934.cif 2234934.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234934.cif 2234934.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. | 2234934.cif 2234934.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234934.cif 2234934.hkl |
| 61551 | 2012-07-05 | cif/ Adding structures of 2234934 via cif-deposit CGI script. |
2234934.cif |
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Users of the data should acknowledge the original authors of the
structural data.