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Information card for entry 7041383
Preview
Coordinates | 7041383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H37 F12 N15 Ni P2 |
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Calculated formula | C44 H37 F12 N15 Ni P2 |
SMILES | [Ni]1234([n]5nn(cc5CN5C=3N(c3[n]2cccn3)c2c5cccc2)Cc2ccccc2)=C2N(c3c(N2c2[n]4cccn2)cccc3)Cc2[n]1nn(c2)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
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 | 12.6109 ± 0.0006 Å |
b | 12.8032 ± 0.0006 Å |
c | 15.6696 ± 0.0008 Å |
α | 89.022 ± 0.004° |
β | 75.221 ± 0.004° |
γ | 81.746 ± 0.004° |
Cell volume | 2420.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.096 |
Residual factor for significantly intense reflections | 0.0699 |
Weighted residual factors for significantly intense reflections | 0.1863 |
Weighted residual factors for all reflections included in the refinement | 0.2139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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