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Information card for entry 2241608
Preview
| Coordinates | 2241608.cif |
|---|---|
| Structure factors | 2241608.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II) |
|---|---|
| Formula | C40 H54 Co N4 O8 |
| Calculated formula | C40 H54 Co N4 O8 |
| Title of publication | Crystal structure of diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>^1^)cobalt(II) |
| Authors of publication | Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 498 - 501 |
| a | 12.9646 ± 0.0004 Å |
| b | 10.8636 ± 0.0003 Å |
| c | 15.6297 ± 0.0005 Å |
| α | 90° |
| β | 111.596 ± 0.003° |
| γ | 90° |
| Cell volume | 2046.79 ± 0.12 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241608.cif 2241608.hkl |
| 178200 | 2016-03-15 | cif/ hkl/ Adding structures of 2241608 via cif-deposit CGI script. |
2241608.cif 2241608.hkl |
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Users of the data should acknowledge the original authors of the
structural data.