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Information card for entry 2240984
Preview
| Coordinates | 2240984.cif |
|---|---|
| Structure factors | 2240984.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κ<i>O</i>)cobalt(II) |
|---|---|
| Formula | C36 H40 Br2 Co N4 O2 |
| Calculated formula | C36 H40 Br2 Co N4 O2 |
| Title of publication | Crystal structure of dibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κ<i>O</i>)cobalt(II) |
| Authors of publication | Rais, Eduard; Flörke, Ulrich; Wilhelm, René |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | m160 - m161 |
| a | 24.182 ± 0.007 Å |
| b | 10.744 ± 0.003 Å |
| c | 40.003 ± 0.011 Å |
| α | 90° |
| β | 92.687 ± 0.009° |
| γ | 90° |
| Cell volume | 10382 ± 5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1503 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240984.cif 2240984.hkl |
| 153370 | 2015-08-13 | cif/ hkl/ Adding structures of 2240984 via cif-deposit CGI script. |
2240984.cif 2240984.hkl |
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Users of the data should acknowledge the original authors of the
structural data.