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Information card for entry 8102522
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| Coordinates | 8102522.cif |
|---|
| Chemical name | (6-(5-carboxypyridin-2-yl)nicotinic) nickel(II) tetrahydrate, C~12~H~14~N~2~NiO~8~ |
|---|---|
| Formula | C12 H14 N2 Ni O8 |
| Calculated formula | C12 H14 N2 Ni O8 |
| SMILES | [Ni]1([n]2cc(ccc2c2[n]1cc(cc2)C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])[OH2] |
| Title of publication | Crystal structure of tetraaqua-[6-(5-carboxypyridin-2-yl)nicotinato]nickel(II), Ni(H2O)4(C12H6N2O4) |
| Authors of publication | Ling Jiang; Ji-Wu Wang; Yi-Xia Ren; Ji-Jiang Wang; Xiang-Yang Hou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 4 |
| Pages of publication | 567 |
| a | 6.9916 ± 0.0019 Å |
| b | 10.186 ± 0.003 Å |
| c | 10.493 ± 0.003 Å |
| α | 98.891 ± 0.003° |
| β | 104.402 ± 0.003° |
| γ | 97.69 ± 0.003° |
| Cell volume | 703.4 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0246 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102522.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102522.cif |
| 13261 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102522 via cif-deposit CGI script. |
8102522.cif |
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Users of the data should acknowledge the original authors of the
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