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Information card for entry 4082951
Preview
| Coordinates | 4082951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H29 B Cl N2 Ni P |
|---|---|
| Calculated formula | C30 H29 B Cl N2 Ni P |
| SMILES | [B]1(c2cccc[n]2[Ni](Cl)([n]2c1cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C |
| Title of publication | Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II). |
| Authors of publication | Celaje, Jeff A.; Pennington-Boggio, Megan K; Flaig, Robinson W.; Richmond, Michael G.; Williams, Travis J. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 8 |
| Pages of publication | 2019 - 2026 |
| a | 10.0115 ± 0.0017 Å |
| b | 12.942 ± 0.002 Å |
| c | 13.046 ± 0.002 Å |
| α | 75.115 ± 0.003° |
| β | 77.495 ± 0.003° |
| γ | 72.421 ± 0.002° |
| Cell volume | 1539.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082951.cif |
| 115881 | 2014-06-05 | cif/ Updating files of 4082950, 4082951 Original log message: Adding full bibliography for 4082950--4082951.cif. |
4082951.cif |
| 112789 | 2014-05-04 | cif/ Updating files of 4082950, 4082951 Original log message: Adding full bibliography for 4082950--4082951.cif. |
4082951.cif |
| 109175 | 2014-04-09 | cif/ Adding structures of 4082951 via cif-deposit CGI script. |
4082951.cif |
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Users of the data should acknowledge the original authors of the
structural data.