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Information card for entry 2233527
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| Coordinates | 2233527.cif |
|---|---|
| Structure factors | 2233527.hkl |
| Original IUCr paper | HTML |
| Chemical name | Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine- κ<i>N</i>)cobalt(III) |
|---|---|
| Formula | C17 H28 Co N5 O4 |
| Calculated formula | C17 H28 Co N5 O4 |
| SMILES | C1(C(C)=[N](O)[Co]2(CCCC)(N=1=O)(N(=C(C(C)=N2=O)C)=O)[n]1ccccc1)C |
| Title of publication | Butylbis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-κ<i>N</i>)cobalt(III) |
| Authors of publication | Kumar, Sarvendra; Thapa, Suresh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m156 - m157 |
| a | 8.365 ± 0.002 Å |
| b | 10.408 ± 0.002 Å |
| c | 11.487 ± 0.003 Å |
| α | 90° |
| β | 91.768 ± 0.004° |
| γ | 90° |
| Cell volume | 999.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233527.cif 2233527.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. |
2233527.cif 2233527.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233527.cif 2233527.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. | 2233527.cif 2233527.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233527.cif 2233527.hkl |
| 38323 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233527 via cif-deposit CGI script. |
2233527.cif |
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Users of the data should acknowledge the original authors of the
structural data.