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Information card for entry 7041384
Preview
| Coordinates | 7041384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H47 F18 N13 Ni2 O2 P3 |
|---|---|
| Calculated formula | C49 H47 F18 N13 Ni2 O2 P3 |
| SMILES | [Ni]12([OH][Ni]34[n]5ccccc5CN5C=4N(c4ccccc54)Cc4[n]3nn(c4)Cc3ccccc3)[n]3ccccc3CN3C=2N(c2ccccc32)Cc2[n]1nn(c2)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.CO |
| Title of publication | Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling. |
| Authors of publication | Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 2 |
| Pages of publication | 586 - 594 |
| a | 10.201 ± 0.002 Å |
| b | 15.645 ± 0.003 Å |
| c | 19.716 ± 0.004 Å |
| α | 89.845 ± 0.003° |
| β | 81.636 ± 0.003° |
| γ | 71.188 ± 0.003° |
| Cell volume | 2943.5 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1227 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1877 |
| Weighted residual factors for all reflections included in the refinement | 0.2186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191587 (current) | 2017-02-04 | cif/ Updating files of 7041379, 7041380, 7041381, 7041382, 7041383, 7041384, 7041385 Original log message: Adding full bibliography for 7041379--7041385.cif. |
7041384.cif |
| 189017 | 2016-12-09 | cif/ Adding structures of 7041379, 7041380, 7041381, 7041382, 7041383, 7041384, 7041385 via cif-deposit CGI script. |
7041384.cif |
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