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Information card for entry 4301140
Preview
| Coordinates | 4301140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 B Cu N2 |
|---|---|
| Calculated formula | C34 H28 B Cu N2 |
| SMILES | [B]1([c]23[cH](cccc2)[Cu]243([c]31[cH]2cccc3)[n]1c(c2cccc[n]42)cccc1)(c1ccccc1)c1ccccc1 |
| 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 | 9.2143 ± 0.0011 Å |
| b | 33.258 ± 0.004 Å |
| c | 9.2161 ± 0.0011 Å |
| α | 90° |
| β | 114.185 ± 0.002° |
| γ | 90° |
| Cell volume | 2576.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| 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. |
4301140.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4301140.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301140.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301140.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301140.cif |
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Users of the data should acknowledge the original authors of the
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