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Information card for entry 2232143
Preview
| Coordinates | 2232143.cif |
|---|---|
| Structure factors | 2232143.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol- 4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II) |
|---|---|
| Formula | C22 H34 N10 Ni O10 |
| Calculated formula | C22 H34 N10 Ni O10 |
| SMILES | c1([nH]c[n]2[Ni]3([n]4c(C5[N](C(C(C)(C)N=5=O)(C)C)=[O]3)c([nH]c4)C)([O]=[N]3C(c12)=N(C(C3(C)C)(C)C)=O)(ON(=O)=O)ON(=O)=O)C |
| Title of publication | Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II) |
| Authors of publication | Chang, Jiu Li; Gao, Zhi Yong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1506 |
| a | 7.8313 ± 0.0005 Å |
| b | 10.7772 ± 0.0008 Å |
| c | 17.3009 ± 0.0012 Å |
| α | 90° |
| β | 101.464 ± 0.001° |
| γ | 90° |
| Cell volume | 1431.06 ± 0.17 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2232143.cif 2232143.hkl |
| 181243 | 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 2/23/21. |
2232143.cif 2232143.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. |
2232143.cif 2232143.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232143.cif 2232143.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. | 2232143.cif 2232143.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232143.cif 2232143.hkl |
| 30785 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232143 via cif-deposit CGI script. |
2232143.cif |
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Users of the data should acknowledge the original authors of the
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