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Information card for entry 7000386
Preview
| Coordinates | 7000386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (2,2'-dipyridylamine)(eta2-cis-1,2-(diphenyl)ethene)copper(i) tetrafluoroborate |
|---|---|
| Chemical name | (2,2'-dipyridylamine)(η2-cis-1,2-(diphenyl)ethene)copper(I) tetrafluoroborate |
| Formula | C24 H21 B Cu F4 N3 |
| Calculated formula | C24 H21 B Cu F4 N3 |
| SMILES | [Cu]12([n]3c(Nc4[n]1cccc4)cccc3)[CH](=[CH]2c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Olefin coordination in copper(I) complexes of bis(2-pyridyl)amine |
| Authors of publication | Allen, John J.; Barron, Andrew R. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 5 |
| Pages of publication | 878 - 890 |
| a | 10.324 ± 0.002 Å |
| b | 22.671 ± 0.005 Å |
| c | 10.923 ± 0.002 Å |
| α | 90° |
| β | 116.92 ± 0.03° |
| γ | 90° |
| Cell volume | 2279.6 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Ambient diffracton pressure | 101.33 kPa |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2184 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1584 |
| Weighted residual factors for all reflections included in the refinement | 0.2203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7000386.cif |
| 179681 | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03. |
7000386.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000386.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000386.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000386.cif |
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