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Information card for entry 4345575
Preview
| Coordinates | 4345575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H35 N3 O2 |
|---|---|
| Calculated formula | C22 H35 N3 O2 |
| Title of publication | A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations. |
| Authors of publication | Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 3631 - 3643 |
| a | 9.9246 ± 0.0002 Å |
| b | 10.7159 ± 0.0002 Å |
| c | 11.3098 ± 0.0002 Å |
| α | 76.6714 ± 0.0019° |
| β | 73.361 ± 0.002° |
| γ | 72.03 ± 0.002° |
| Cell volume | 1082.8 ± 0.04 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4345575.cif |
| 194705 | 2017-04-04 | cif/ Adding structures of 4345575, 4345576, 4345577, 4345578, 4345579, 4345580, 4345581, 4345582, 4345583, 4345584, 4345585, 4345586, 4345587, 4345588, 4345589, 4345590 via cif-deposit CGI script. |
4345575.cif |
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Users of the data should acknowledge the original authors of the
structural data.