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Information card for entry 4346793
Preview
| Coordinates | 4346793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C87.5 H108 B Cl Cu N8 |
|---|---|
| Calculated formula | C87.5 H108 B Cl Cu N8 |
| SMILES | [Cu](N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C)N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.ClCCl |
| Title of publication | Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands. |
| Authors of publication | Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 22 |
| Pages of publication | 11007 - 11017 |
| a | 32.739 ± 0.003 Å |
| b | 26.39 ± 0.003 Å |
| c | 18.644 ± 0.002 Å |
| α | 90° |
| β | 91.556 ± 0.003° |
| γ | 90° |
| Cell volume | 16102 ± 3 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1001 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346793.cif |
| 252331 | 2020-05-25 | cif/4 Fixing some Z values and formulae |
4346793.cif |
| 231981 | 2019-11-23 | cif/ Adding structures of 4346785, 4346786, 4346787, 4346788, 4346789, 4346790, 4346791, 4346792, 4346793 via cif-deposit CGI script. |
4346793.cif |
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Users of the data should acknowledge the original authors of the
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