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Information card for entry 7007771
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Coordinates | 7007771.cif |
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Original paper (by DOI) | HTML |
Common name | (L2)Cu(CO) |
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Formula | C30 H35 Cu F6 N2 O |
Calculated formula | C30 H35 Cu F6 N2 O |
SMILES | [Cu]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)C#[O] |
Title of publication | Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes. |
Authors of publication | Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 41 |
Pages of publication | 4944 - 4953 |
a | 16.339 ± 0.002 Å |
b | 15.282 ± 0.002 Å |
c | 24.409 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6094.7 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
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/7007771.html
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Users of the data should acknowledge the original authors of the
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