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Information card for entry 2018995
Preview
| Coordinates | 2018995.cif |
|---|---|
| Structure factors | 2018995.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)] |
|---|---|
| Formula | C15 H21 Na Ni O6 |
| Calculated formula | C15 H21 Na Ni O6 |
| SMILES | C1=C(C)O[Ni]23([O]=C1C)([O]=C(C=C(C)O3)C)OC(=CC(C)=[O]2)C.[Na+] |
| Title of publication | <i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)] |
| Authors of publication | Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 506 - 508 |
| a | 16.133 ± 0.002 Å |
| b | 16.133 ± 0.002 Å |
| c | 11.684 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2633.6 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| 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. |
2018995.cif 2018995.hkl |
| 180858 | 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 2/01/89. |
2018995.cif 2018995.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018995.cif 2018995.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018995.cif 2018995.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018995.cif 2018995.hkl |
| 86731 | 2013-07-11 | cif/ Adding structures of 2018995 via cif-deposit CGI script. |
2018995.cif |
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Users of the data should acknowledge the original authors of the
structural data.