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Information card for entry 7219326
Preview
| Coordinates | 7219326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H48 Cu2 N6 O21 |
|---|---|
| Calculated formula | C38 H48 Cu2 N6 O21 |
| SMILES | [Cu]123(OC(=O)c4[n]2c(c2[n]5[Cu]6(OC(=O)c5ccc2OC)(OC(=O)c2[n]6c(c5[n]3c(C(=O)O1)ccc5OC)c(OC)cc2)[n]1ccccc1)c(OC)cc4)[n]1ccccc1.O.O.O.O.O.O.O.O.O |
| Title of publication | In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties |
| Authors of publication | Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1871 |
| a | 12.1868 ± 0.0013 Å |
| b | 12.4222 ± 0.0013 Å |
| c | 15.4307 ± 0.0016 Å |
| α | 77.399 ± 0.001° |
| β | 88.583 ± 0.001° |
| γ | 85.884 ± 0.001° |
| Cell volume | 2273.8 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180524 (current) | 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 7/21/93. |
7219326.cif |
| 133233 | 2015-03-06 | cif/ Updating files of 7219323, 7219324, 7219325, 7219326, 7219327 Original log message: Adding full bibliography for 7219323--7219327.cif. |
7219326.cif |
| 129704 | 2015-01-17 | cif/ Adding structures of 7219323, 7219324, 7219325, 7219326, 7219327 via cif-deposit CGI script. |
7219326.cif |
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