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Information card for entry 7028659
Preview
Coordinates | 7028659.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(EtOH)DiPPImH]2ClNiCl4 |
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Formula | C68 H100 Cl6 N8 Ni O4 |
Calculated formula | C68 H100 Cl6 N8 Ni O4 |
SMILES | c1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1CCO.n1(c2c(cccc2C(C)C)C(C)C)c[n+](CCO)cc1.Cl[Ni](Cl)([Cl-])[Cl-].[Cl-].c1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1CCO.n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)CCO.[Cl-] |
Title of publication | Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii). |
Authors of publication | Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 12 |
Pages of publication | 4700 - 4710 |
a | 14.9628 ± 0.0004 Å |
b | 15.0822 ± 0.0003 Å |
c | 16.1788 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3651.1 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 2 21 |
Hall space group symbol | P 2ac 2ac |
Residual factor for all reflections | 0.084 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation probe | x-ray |
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/7028659.html
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structural data.