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Information card for entry 2229506
Preview
| Coordinates | 2229506.cif |
|---|---|
| Structure factors | 2229506.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium |
|---|---|
| Formula | C12 H28 Cd Cl2 N4 O2 |
| Calculated formula | C12 H28 Cd Cl2 N4 O2 |
| SMILES | C1[N]2(CCOC1)CC[NH2][Cd]12(Cl)(Cl)[N]2(CCOCC2)CC[NH2]1 |
| Title of publication | Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium |
| Authors of publication | Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m298 |
| a | 19.6443 ± 0.0002 Å |
| b | 10.6159 ± 0.0001 Å |
| c | 8.3553 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1742.43 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.277 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181216 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/95. |
2229506.cif 2229506.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229506.cif 2229506.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229506.cif 2229506.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. | 2229506.cif 2229506.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229506.cif 2229506.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229506.cif 2229506.hkl |
| 17566 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229506 via cif-deposit CGI script. |
2229506.cif |
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Users of the data should acknowledge the original authors of the
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