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Information card for entry 4507538
Preview
| Coordinates | 4507538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H26 Cd N8 O12 |
|---|---|
| Calculated formula | C34 H26 Cd N8 O12 |
| SMILES | c1c2ccc[n]1[Cd]1([n]3cccc(C(=O)c4nc(C2=O)ccc4)c3)([OH2])([n]2cc(ccc2)C(=O)c2cccc(n2)C(=O)c2ccc[n]1c2)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation |
| Authors of publication | Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1926 |
| a | 23.192 ± 0.013 Å |
| b | 9.862 ± 0.006 Å |
| c | 17.081 ± 0.009 Å |
| α | 90° |
| β | 113.969 ± 0.01° |
| γ | 90° |
| Cell volume | 3570 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 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. |
4507538.cif |
| 179611 | 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 4/50/75. |
4507538.cif |
| 85556 | 2013-05-07 | cif/ Adding structures of 4507536, 4507537, 4507538, 4507539, 4507540, 4507541, 4507542, 4507543, 4507544 via cif-deposit CGI script. |
4507538.cif |
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Users of the data should acknowledge the original authors of the
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