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Information card for entry 4067887
Preview
Coordinates | 4067887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H48 F12 N16 Ni P2 |
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Calculated formula | C54 H48 F12 N16 Ni P2 |
SMILES | [Ni]12(=C3N(Cc4cn(Cc5ccccc5)nn4)c4ccccc4N3Cc3cn(Cc4ccccc4)nn3)=C3N(c4ccccc4N3Cc3cn(Cc4ccccc4)n[n]23)Cc2cn(Cc3ccccc3)n[n]12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes |
Authors of publication | Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 282 |
a | 14.5148 ± 0.0003 Å |
b | 16.2759 ± 0.0003 Å |
c | 24.885 ± 0.0005 Å |
α | 90° |
β | 95.664 ± 0.002° |
γ | 90° |
Cell volume | 5850.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0784 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1597 |
Weighted residual factors for all reflections included in the refinement | 0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4067887.html
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