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Information card for entry 2232941
Preview
| Coordinates | 2232941.cif |
|---|---|
| Structure factors | 2232941.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
|---|---|
| Formula | C36 H42 Co N8 O4 |
| Calculated formula | C36 H42 Co N8 O4 |
| SMILES | C1(=O)NC(C(=O)N1[Co]12([NH2]CCC[NH2]1)(N1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)[NH2]CCC[NH2]2)(c1ccccc1)c1ccccc1 |
| Title of publication | Bis(2,4-dioxo-5,5-diphenylimidazolidinido-κ<i>N</i>^3^)bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
| Authors of publication | Hu, Xilan; Jiang, Qing; Wang, Daqi; Liu, Haifeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1885 |
| a | 10.0368 ± 0.0012 Å |
| b | 8.7865 ± 0.0009 Å |
| c | 20.684 ± 0.002 Å |
| α | 90° |
| β | 102.363 ± 0.002° |
| γ | 90° |
| Cell volume | 1781.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| 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 |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232941.cif 2232941.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. |
2232941.cif 2232941.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232941.cif 2232941.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. | 2232941.cif 2232941.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232941.cif 2232941.hkl |
| 31827 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232941 via cif-deposit CGI script. |
2232941.cif |
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Users of the data should acknowledge the original authors of the
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