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Information card for entry 7039564
Preview
Coordinates | 7039564.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H37 Br F6 N4 Ni O P |
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Calculated formula | C26 H37 Br F6 N4 Ni O P |
SMILES | Br[Ni]123([n]4c5C[N]1(Cc1c3c(cc(OC)c1)C[N]2(Cc4ccc5)C(C)(C)C)C(C)(C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Ligand effects on the properties of Ni(iii) complexes: aerobically-induced aromatic cyanation at room temperature. |
Authors of publication | Zhou, Wen; Watson, Michael B.; Zheng, Shuai; Rath, Nigam P.; Mirica, Liviu M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 40 |
Pages of publication | 15886 - 15893 |
a | 10.747 ± 0.003 Å |
b | 11.639 ± 0.003 Å |
c | 12.569 ± 0.004 Å |
α | 106.335 ± 0.013° |
β | 95.317 ± 0.018° |
γ | 95.342 ± 0.014° |
Cell volume | 1490.5 ± 0.8 Å3 |
Cell temperature | 111 ± 2 K |
Ambient diffraction temperature | 111 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039564.html
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