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Information card for entry 4326194
Preview
Coordinates | 4326194.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H82 F12 N18 Ni3 P2 |
---|---|
Calculated formula | C72 H82 F12 N18 Ni3 P2 |
SMILES | [Ni]12(n3[n]4[Ni]5([n]6n1c(C)cc6CN1C=5N(C=C1)c1c(cc(cc1C)C)C)=C1N(Cc4cc3C)C=CN1c1c(cc(cc1C)C)C)n1[n]3[Ni]4([n]5n2c(C)cc5CN2C=4N(C=C2)c2c(cc(cc2C)C)C)=C2N(Cc3cc1C)C=CN2c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
Title of publication | Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands |
Authors of publication | Chao Chen; Huayu Qiu; Wanzhi Chen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8671 - 8678 |
a | 13.2851 ± 0.0014 Å |
b | 19.085 ± 0.002 Å |
c | 19.144 ± 0.002 Å |
α | 117.78 ± 0.002° |
β | 92.223 ± 0.001° |
γ | 108.868 ± 0.002° |
Cell volume | 3958.2 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1152 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1727 |
Weighted residual factors for all reflections included in the refinement | 0.2238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4326194.html
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Users of the data should acknowledge the original authors of the
structural data.