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Information card for entry 2019518
Preview
| Coordinates | 2019518.cif |
|---|---|
| Structure factors | 2019518.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II) pentahydrate |
|---|---|
| Formula | C22 H26 N4 Ni O9 |
| Calculated formula | C22 H26 N4 Ni O9 |
| SMILES | [Ni]123([n]4c(cccc4)c4cccc[n]14)([n]1c(cccc1)c1cccc[n]21)OC(=O)C(=O)O3.O.O.O.O.O |
| Title of publication | Synthesis, characterization and crystal structure of the new pentahydrate of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II) |
| Authors of publication | Farkašová, Nela; Černák, Juraj; Tomás, Milagros; Falvello, Larry R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 477 - 481 |
| a | 10.7474 ± 0.0004 Å |
| b | 22.7052 ± 0.0009 Å |
| c | 9.9647 ± 0.0005 Å |
| α | 90° |
| β | 103.39 ± 0.004° |
| γ | 90° |
| Cell volume | 2365.5 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019518.cif 2019518.hkl |
| 181865 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019518.cif 2019518.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019518.cif 2019518.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019518.cif 2019518.hkl |
| 115944 | 2014-06-06 | cif/ Updating files of 2019518 Original log message: Adding full bibliography for 2019518.cif. |
2019518.cif 2019518.hkl |
| 111644 | 2014-04-25 | cif/ hkl/ Adding structures of 2019518 via cif-deposit CGI script. |
2019518.cif 2019518.hkl |
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Users of the data should acknowledge the original authors of the
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