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Information card for entry 4301142
Preview
| Coordinates | 4301142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Cu F6 N3 P |
|---|---|
| Calculated formula | C16 H15 Cu F6 N3 P |
| SMILES | [Cu]1([n]2c(C)ccc3ccc4c([n]1c(cc4)C)c23)[N]#CC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Strong Coordination of Tetraphenylborate Anion to Copper(I) Bipyridine and Phenanthroline-Based Complexes and Its Effect on Catalytic Activity in the Cyclopropanation of Styrene |
| Authors of publication | Carolynne Ricardo; Lauren M. Matosziuk; Jeffrey D. Evanseck; Tomislav Pintauer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 16 - 18 |
| a | 7.6259 ± 0.0008 Å |
| b | 12.4236 ± 0.0013 Å |
| c | 19.637 ± 0.002 Å |
| α | 90° |
| β | 93.934 ± 0.002° |
| γ | 90° |
| Cell volume | 1856 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| 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 | 0.1239 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.79 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4301142.cif |
| 179049 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/11. |
4301142.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301142.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301142.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301142.cif |
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