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Information card for entry 2238265
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| Coordinates | 2238265.cif |
|---|---|
| Structure factors | 2238265.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) |
|---|---|
| Formula | C6 H14 Cl2 N6 Ni |
| Calculated formula | C6 H14 Cl2 N6 Ni |
| SMILES | c1[n](cc[nH]1)[Ni]([n]1c[nH]cc1)([NH3])([NH3])(Cl)Cl |
| Title of publication | <i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) |
| Authors of publication | Kannan, Piskala Subburaman; Ganeshraja, Ayyakannu Sundaram; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalatheva |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m410 |
| a | 9.1349 ± 0.0009 Å |
| b | 7.9451 ± 0.0005 Å |
| c | 15.6121 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1133.09 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238265.cif 2238265.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. |
2238265.cif 2238265.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238265.cif 2238265.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238265.cif 2238265.hkl |
| 87526 | 2013-08-27 | cif/ Adding structures of 2238265 via cif-deposit CGI script. |
2238265.cif |
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Users of the data should acknowledge the original authors of the
structural data.