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Information card for entry 4122831
Preview
| Coordinates | 4122831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | NiCl2(CNArMes2)2 |
|---|---|
| Formula | C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 |
| Calculated formula | C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 |
| Title of publication | Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel. |
| Authors of publication | Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 44 |
| Pages of publication | 15481 - 15484 |
| a | 12.3698 ± 0.001 Å |
| b | 14.649 ± 0.0012 Å |
| c | 16.2882 ± 0.0014 Å |
| α | 69.508 ± 0.003° |
| β | 70.124 ± 0.003° |
| γ | 68.086 ± 0.003° |
| Cell volume | 2489.4 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179030 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28. |
4122831.cif |
| 127041 | 2014-11-12 | cif/ Updating files of 4122830, 4122831, 4122832 Original log message: Adding full bibliography for 4122830--4122832.cif. |
4122831.cif |
| 125694 | 2014-10-22 | cif/ Adding structures of 4122830, 4122831, 4122832 via cif-deposit CGI script. |
4122831.cif |
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Users of the data should acknowledge the original authors of the
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