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Information card for entry 7036672
Preview
| Coordinates | 7036672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Cu(BPEP)](BArF4) |
|---|---|
| Chemical name | Bis(phosphaethenyl)pyridine copper(I) |
| Formula | C87 H83 B Cu F24 N P2 |
| Calculated formula | C87 H83 B Cu F24 N P2 |
| SMILES | [Cu]12[P](=C(c3[n]2c(ccc3)C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions. |
| Authors of publication | Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2079 - 2084 |
| a | 22.251 ± 0.002 Å |
| b | 17.9388 ± 0.0013 Å |
| c | 23.884 ± 0.003 Å |
| α | 90° |
| β | 116.157 ± 0.004° |
| γ | 90° |
| Cell volume | 8557.1 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1419 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.2337 |
| Weighted residual factors for all reflections included in the refinement | 0.2592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036672.cif |
| 176092 | 2016-02-05 | cif/ Updating files of 7036672, 7036673 Original log message: Adding full bibliography for 7036672--7036673.cif. |
7036672.cif |
| 158414 | 2015-09-26 | cif/ Adding structures of 7036672, 7036673 via cif-deposit CGI script. |
7036672.cif |
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Users of the data should acknowledge the original authors of the
structural data.