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Information card for entry 7000613
Preview
Coordinates | 7000613.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H50 Cl2 Cu F6 N4 P |
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Calculated formula | C39 H50 Cl2 Cu F6 N4 P |
SMILES | [Cu]12([N](C3CC([N]1=Cc1c(cc(cc1C)C)C)CC([N]2=Cc1c(cc(cc1C)C)C)C3)=Cc1c(cc(cc1C)C)C)[N]#CC.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Copper(i) complexes of cis,cis-1,3,5-tris(mesitylideneamino)cyclohexane ligands: synthesis, structure and substrate selectivity |
Authors of publication | Cushion, Michael; Ebrahimpour, Parisa; Haddow, Mairi F.; Hallett, Andrew J.; Mansell, Stephen M.; Orpen, A. Guy; Wass, Duncan F. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 9 |
Pages of publication | 1632 - 1635 |
a | 13.291 ± 0.005 Å |
b | 15.751 ± 0.005 Å |
c | 19.409 ± 0.007 Å |
α | 90° |
β | 100.48 ± 0.03° |
γ | 90° |
Cell volume | 3995 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0802 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1521 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7000613.html
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