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Information card for entry 2105291
Preview
| Coordinates | 2105291.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | bis (2,6-pyridinedicarboxylato)nickelate(II) trihydrate |
|---|---|
| Formula | C14 H14 N2 Ni O11 |
| Calculated formula | C14 H14 N2 Ni O11 |
| Title of publication | Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickel(II) trihydrate, Ni(Hpydc)~2~·3H~2~O |
| Authors of publication | Sanotra, Sumit; Gupta, Rimpy; Sheikh, Haq Nawaz; Kalsotra, Bansi Lal; Gupta, Vivek K.; Rajnikant |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | 619 - 624 |
| a | 13.6825 ± 0.0003 Å |
| b | 10.0465 ± 0.0002 Å |
| c | 13.777 ± 0.0004 Å |
| α | 90° |
| β | 115.166 ± 0.003° |
| γ | 90° |
| Cell volume | 1714.04 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2105291.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105291.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105291.cif |
| 71063 | 2013-01-18 | cif/ Adding structures of 2105291 via cif-deposit CGI script. |
2105291.cif |
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Users of the data should acknowledge the original authors of the
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