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Information card for entry 7214098
Preview
| Coordinates | 7214098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H60 Cd2 Cl4 N4 O8 |
|---|---|
| Calculated formula | C80 H60 Cd2 Cl4 N4 O8 |
| SMILES | c1cc(cc[n]1[Cd]123([n]4ccc(cc4)/C=C/c4ccccc4)([O]=C(O1)c1ccc(cc1)Cl)[O](C(=[O]2)c1ccc(cc1)Cl)[Cd]12([n]4ccc(cc4)/C=C/c4ccccc4)([n]4ccc(cc4)/C=C/c4ccccc4)([O]=C(O1)c1ccc(cc1)Cl)[O]3C(=[O]2)c1ccc(cc1)Cl)/C=C/c1ccccc1 |
| Title of publication | Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds |
| Authors of publication | Liu, Dong; Lang, Jian-Ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 76 |
| a | 10.584 ± 0.002 Å |
| b | 11.362 ± 0.002 Å |
| c | 15.896 ± 0.003 Å |
| α | 107.23 ± 0.03° |
| β | 92.05 ± 0.03° |
| γ | 109.7 ± 0.03° |
| Cell volume | 1699.3 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214098.cif |
| 180471 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/40. |
7214098.cif |
| 105239 | 2014-03-12 | cif/ Adding structures of 7214098, 7214099 via cif-deposit CGI script. |
7214098.cif |
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Users of the data should acknowledge the original authors of the
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