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Information card for entry 4067891
Preview
Coordinates | 4067891.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H48 Co F18 N16 P3 |
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Calculated formula | C54 H48 Co F18 N16 P3 |
SMILES | c1ccccc1Cn1cc2[n](n1)[Co]134([n]5nn(cc5CN5C=4N(Cc4cn(Cc6ccccc6)n[n]34)c3ccccc53)Cc3ccccc3)=C3N(c4c(N3C2)cccc4)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-] |
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 | 24.521 ± 0.003 Å |
b | 12.3041 ± 0.001 Å |
c | 19.672 ± 0.002 Å |
α | 90° |
β | 104.803 ± 0.007° |
γ | 90° |
Cell volume | 5738.2 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0805 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1892 |
Weighted residual factors for all reflections included in the refinement | 0.202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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