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Information card for entry 7705242
Preview
| Coordinates | 7705242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H43 F12 N13 Ni O4 P2 |
|---|---|
| Calculated formula | C44 H43 F12 N13 Ni O4 P2 |
| SMILES | c1c(ccc[n+]1C)N1C(=O)c2cccc3C(=O)N(c4ccc[n+](C)c4)[Ni]451([n]23)N(c1c[n+](C)ccc1)C(=O)c1cccc(C(=O)N5c2ccc[n+](C)c2)[n]41.CC#N.CC#N.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| 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 | 12.5126 ± 0.0003 Å |
| b | 13.9713 ± 0.0004 Å |
| c | 15.2848 ± 0.0004 Å |
| α | 67.053 ± 0.002° |
| β | 82.782 ± 0.002° |
| γ | 82.793 ± 0.002° |
| Cell volume | 2432.53 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7705242.cif |
| 255576 | 2020-08-22 | cif/ Adding structures of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 via cif-deposit CGI script. |
7705242.cif |
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Users of the data should acknowledge the original authors of the
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