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Information card for entry 7705245
Preview
| Coordinates | 7705245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H38 Co F18 N10 O6 P3 |
|---|---|
| Calculated formula | C38 H38 Co F18 N10 O6 P3 |
| SMILES | [Co]1234(N(c5c[n+](ccc5)C)C(=O)c5cccc(C(=O)N2c2ccc[n+](C)c2)[n]45)N(c2c[n+](ccc2)C)C(=O)c2cccc(C(=O)N1c1c[n+](C)ccc1)[n]32.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O |
| Title of publication | Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc. |
| Authors of publication | Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 36 |
| Pages of publication | 12662 - 12673 |
| a | 13.05781 ± 0.00013 Å |
| b | 14.7905 ± 0.0002 Å |
| c | 24.4665 ± 0.0003 Å |
| α | 90° |
| β | 99.3165 ± 0.001° |
| γ | 90° |
| Cell volume | 4662.92 ± 0.1 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0816 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| 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 |
|---|---|---|---|
| 257541 (current) | 2020-10-06 | cif/ Updating files of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 Original log message: Adding full bibliography for 7705237--7705245.cif. |
7705245.cif |
| 255576 | 2020-08-22 | cif/ Adding structures of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 via cif-deposit CGI script. |
7705245.cif |
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Users of the data should acknowledge the original authors of the
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