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Information card for entry 4506496
Preview
| Coordinates | 4506496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H24 N2 Ni O6 |
|---|---|
| Calculated formula | C33 H24 N2 Ni O6 |
| Title of publication | Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands |
| Authors of publication | Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 4060 |
| a | 10.157 ± 0.0004 Å |
| b | 10.883 ± 0.0005 Å |
| c | 13.384 ± 0.0005 Å |
| α | 91.536 ± 0.003° |
| β | 91.42 ± 0.003° |
| γ | 113.823 ± 0.004° |
| Cell volume | 1351.88 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1288 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4506496.cif |
| 179600 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64. |
4506496.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506496.cif |
| 66194 | 2012-09-09 | cif/ Adding structures of 4506490, 4506491, 4506492, 4506493, 4506494, 4506495, 4506496, 4506497, 4506498, 4506499, 4506500, 4506501, 4506502, 4506503 via cif-deposit CGI script. |
4506496.cif |
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Users of the data should acknowledge the original authors of the
structural data.