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Information card for entry 4068184
Preview
| Coordinates | 4068184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [PhB(3-C2F5Pz)3]AgC2H4 |
|---|---|
| Formula | C23 H15 Ag B F15 N6 |
| Calculated formula | C23 H15 Ag B F15 N6 |
| SMILES | [Ag]12([n]3n([B](n4[n]1c(cc4)C(F)(F)C(F)(F)F)(n1nc(cc1)C(F)(F)C(F)(F)F)c1ccccc1)ccc3C(F)(F)C(F)(F)F)[CH2]=[CH2]2 |
| Title of publication | Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate |
| Authors of publication | Dias, H. V. Rasika; Wu, Jiang |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 4 |
| Pages of publication | 1511 |
| a | 11.2741 ± 0.0007 Å |
| b | 12.8593 ± 0.0008 Å |
| c | 19.3139 ± 0.0011 Å |
| α | 90° |
| β | 90.28 ± 0.001° |
| γ | 90° |
| Cell volume | 2800 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068184.cif |
| 178571 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81. |
4068184.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068184.cif |
| 38112 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4068183, 4068184, 4068185 via cif-deposit CGI script. |
4068184.cif |
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