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Information card for entry 4121685
Preview
| Coordinates | 4121685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H96 Br2 F14 N8 Ni2 O3 P2 |
|---|---|
| Calculated formula | C68 H96 Br2 F14 N8 Ni2 O3 P2 |
| Title of publication | Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions. |
| Authors of publication | Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 17 |
| Pages of publication | 6499 - 6504 |
| a | 11.2518 ± 0.0005 Å |
| b | 24.698 ± 0.0011 Å |
| c | 13.5396 ± 0.0005 Å |
| α | 90° |
| β | 106.176 ± 0.003° |
| γ | 90° |
| Cell volume | 3613.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4121685.cif |
| 179018 | 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 4/12/16. |
4121685.cif |
| 112738 | 2014-05-04 | cif/ Updating files of 4121684, 4121685, 4121686, 4121687 Original log message: Adding full bibliography for 4121684--4121687.cif. |
4121685.cif |
| 109593 | 2014-04-17 | cif/ Adding structures of 4121684, 4121685, 4121686, 4121687 via cif-deposit CGI script. |
4121685.cif |
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