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Information card for entry 2238556
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| Coordinates | 2238556.cif |
|---|---|
| Structure factors | 2238556.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>cis</i>-Diaquatetrakis(1-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dichloride |
|---|---|
| Formula | C28 H52 Cl2 N8 Ni O2 |
| Calculated formula | C28 H52 Cl2 N8 Ni O2 |
| Title of publication | <i>cis</i>-Diaquatetrakis(1-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dichloride |
| Authors of publication | Kannan, P. S.; Ganeshraja, A. S.; Rajkumar, K.; Anbalagan, K.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m498 - m499 |
| a | 8.533 ± 0.005 Å |
| b | 24.952 ± 0.005 Å |
| c | 17.641 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 101.277 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3684 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1198 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.1944 |
| Weighted residual factors for all reflections included in the refinement | 0.2327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238556.cif 2238556.hkl |
| 181307 | 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 2/23/85. |
2238556.cif 2238556.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. |
2238556.cif 2238556.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238556.cif 2238556.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238556.cif 2238556.hkl |
| 88699 | 2013-10-02 | cif/ Adding structures of 2238556 via cif-deposit CGI script. |
2238556.cif |
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Users of the data should acknowledge the original authors of the
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