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Information card for entry 2232383
Preview
| Coordinates | 2232383.cif |
|---|---|
| Structure factors | 2232383.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(methanol-κ<i>O</i>)bis(quinoline-2-carboxylato- κ^2^<i>N</i>,<i>O</i>)nickel(II) |
|---|---|
| Formula | C22 H20 N2 Ni O6 |
| Calculated formula | C22 H20 N2 Ni O6 |
| SMILES | [Ni]12([n]3c4ccccc4ccc3C(=O)O1)([n]1c3ccccc3ccc1C(=O)O2)([OH]C)[OH]C |
| Title of publication | Bis(methanol-κ<i>O</i>)bis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II) |
| Authors of publication | Kang, Juhye; Yeo, Jin Kie; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1511 |
| a | 10.411 ± 0.002 Å |
| b | 7.391 ± 0.0015 Å |
| c | 13.556 ± 0.003 Å |
| α | 90° |
| β | 108.57 ± 0.03° |
| γ | 90° |
| Cell volume | 988.8 ± 0.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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. |
2232383.cif 2232383.hkl |
| 181245 | 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 2/23/23. |
2232383.cif 2232383.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. |
2232383.cif 2232383.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232383.cif 2232383.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. | 2232383.cif 2232383.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232383.cif 2232383.hkl |
| 31040 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232383 via cif-deposit CGI script. |
2232383.cif |
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Users of the data should acknowledge the original authors of the
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