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Information card for entry 4032688
Preview
| Coordinates | 4032688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H72 B2 N12 Ni |
|---|---|
| Calculated formula | C74 H72 B2 N12 Ni |
| Title of publication | Synthesis and catalytic activity of nickel(II) complexes containing NCN pincer ligands |
| Authors of publication | Ashwin G. Nair; Roy T. McBurney; Mark R.D. Gatus; D.Barney Walker; Mohan Bhadbhade; Barbara A. Messerle |
| Journal of publication | Journal of Organometallic Chemistry |
| Year of publication | 2017 |
| Journal volume | 845 |
| Pages of publication | 63 - 70 |
| a | 23.4252 ± 0.0019 Å |
| b | 12.5805 ± 0.0009 Å |
| c | 24.392 ± 0.002 Å |
| α | 90° |
| β | 118.202 ± 0.003° |
| γ | 90° |
| Cell volume | 6335 ± 0.9 Å3 |
| Cell temperature | 150.02 K |
| Ambient diffraction temperature | 150.02 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.3076 |
| Residual factor for significantly intense reflections | 0.138 |
| Weighted residual factors for significantly intense reflections | 0.3634 |
| Weighted residual factors for all reflections included in the refinement | 0.4603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200070 (current) | 2017-09-01 | cif/ Adding structures of 4032688 via cif-deposit CGI script. |
4032688.cif |
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Users of the data should acknowledge the original authors of the
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