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Information card for entry 2236253
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| Coordinates | 2236253.cif |
|---|---|
| Structure factors | 2236253.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimorpholinium tetrachloridocobaltate(II) |
|---|---|
| Formula | C8 H20 Cl4 Co N2 O2 |
| Calculated formula | C8 H20 Cl4 Co N2 O2 |
| SMILES | C1C[NH2+]CCO1.C1C[NH2+]CCO1.[Cl-][Co](Cl)(Cl)[Cl-] |
| Title of publication | Dimorpholinium tetrachloridocobaltate(II) |
| Authors of publication | Cao, Xing-Xing; Cheng, He-Long; Feng, Qing-Liu; Chen, Li-Zhuang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1198 |
| a | 6.5952 ± 0.0013 Å |
| b | 13.696 ± 0.003 Å |
| c | 17.039 ± 0.003 Å |
| α | 90° |
| β | 92.93 ± 0.002° |
| γ | 90° |
| Cell volume | 1537.1 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0244 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181284 (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 2/23/62. |
2236253.cif 2236253.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. |
2236253.cif 2236253.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236253.cif 2236253.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. | 2236253.cif 2236253.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236253.cif 2236253.hkl |
| 69822 | 2012-12-21 | cif/ Adding structures of 2236253 via cif-deposit CGI script. |
2236253.cif |
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Users of the data should acknowledge the original authors of the
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