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Information card for entry 7214561
Preview
| Coordinates | 7214561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H53 B2 Cu2 F8 N4 O P3 |
|---|---|
| Calculated formula | C56 H53 B2 Cu2 F8 N4 O P3 |
| SMILES | [Cu]123([P](c4[n]([Cu]1([n]1c([P]2(c2ccccc2)c2ccccc2)c(ccc1)C)[P](c1[n]3cccc1C)(c1ccccc1)c1ccccc1)cccc4C)(c1ccccc1)c1ccccc1)[N]#CC.[B](F)(F)(F)[F-].O.[B](F)(F)(F)[F-] |
| Title of publication | Directed formation of tri-connected Cu(i) coordination polymers |
| Authors of publication | Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 45 |
| Pages of publication | 9372 |
| a | 18.6648 ± 0.0014 Å |
| b | 14.4855 ± 0.0013 Å |
| c | 20.3605 ± 0.0017 Å |
| α | 90° |
| β | 91.374 ± 0.007° |
| γ | 90° |
| Cell volume | 5503.3 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1583 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
| 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. |
7214561.cif |
| 198636 | 2017-07-11 | cif/7/21/45/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7214561, 7214562. |
7214561.cif |
| 180476 | 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 7/21/45. |
7214561.cif |
| 110305 | 2014-04-18 | cif/ Adding structures of 7214561, 7214562, 7214563, 7214564 via cif-deposit CGI script. |
7214561.cif |
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